SCHEMBL1705487

SCHEMBL1705487

Cc1ccc2ccccc2c1Nc1c(C)ccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
CYP1A2 P05177 5/20 0.58
CYP2A6 P11509 4/20 0.58
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
HPRT1 P00492 1/20 0.44
HPGD P15428 3/20 0.44
HKDC1 Q2TB90 1/20 0.44
G6PD P11413 1/20 0.43
HCRTR1 O43613 1/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
RAB9A P51151 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
CYP1B1 Q16678 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1923154 0.90 TSHR (0.52) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL1923153 0.90 TSHR (0.52) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL1921527 0.85 TSHR (0.47) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL9806709 0.84 TSHR (0.56) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL12320091 0.83 TSHR (0.46) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL22848171 0.83 ALDH1A1 (0.52) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL23863714 0.83 TSHR (0.54) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL5713244 0.83 TSHR (0.54) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL5231012 0.79 ATM (0.52) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL11585864 0.79 TSHR (0.50) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143031-B1 STABILIZED ORGANOPHOSPHOROUS COMPOUNDS DOW TECHNOLOGY INVESTMENTS LLC (US) 2020-11-04 EP claimed
EP-1059289-B1 Process for manufacture of N-alk(en)oxy(or aryloxy)carbonyl isothiocyanates and their derivatives in the presence of N,N-dialkylarylamine catalyst BAYER AG (US) 2005-07-27 EP claimed
EP-0901009-B1 Nitrogen dioxide gas sensing method, nitrogen dioxide gas sensing element, and nitrogen dioxide gas sensor using the same NIPPON TELEGRAPH & TELEPHONE (JP) 2002-11-06 EP claimed
EP-0676429-B1 Composition for urethane-based plastic lens MITSUI CHEMICALS INC (JP) 2000-12-27 EP claimed
EP-0160240-B1 TEST PIECE FOR DETECTING NITRITE TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1991-07-31 EP claimed
EP-0255715-B1 PROCESS FOR THE SYNTHESIS OF HETEROCYCLES FROM PALLADOCYCLIC COMPLEXES EUROPÄISCHE WIRTSCHAFTSGEMEINSCHAFT (E.W.G.) (LU) 1991-07-31 EP claimed
EP-2561014-B1 USE OF RADIATION CURABLE COMPOSITIONS AND METHOD AND KITS UTILISING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2020-12-09 EP disclosed
EP-2440326-B1 POLYSACCHARIDE MATRIX HAVING A GRAFTED POLYMER, METHOD FOR PRODUCING THE SAME AND USE THEREOF SARTORIUS STEDIM BIOTECH GMBH (DE) 2017-10-04 EP disclosed
US-8921440-B2 Radiation curable composition, process of production and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-12-30 US disclosed
EP-2561014-A1 RADIATION CURABLE COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF 3M Innovative Properties Company (US) 2013-02-27 EP disclosed
US-20130030076-A1 RADIATION CURABLE COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-31 US disclosed
EP-2440326-A1 POLYSACCHARIDE MATRIX HAVING A GRAFTED POLYMER, METHOD FOR PRODUCING THE SAME AND USE THEREOF Sartorius Stedim Biotech GmbH (DE) 2012-04-18 EP disclosed
WO-2011133495-A1 RADIATION CURABLE COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-10-27 WO disclosed
EP-0941990-A2 Process for the preparation of azamethines and azamethines obtained thereby SIEMENS AKTIENGESELLSCHAFT (DE) 1999-09-15 EP disclosed
EP-0175250-B1 AGENT AND PROCESS FOR THE DETERMINATION OF REDOX SYSTEMS Roche Diagnostics GmbH (DE) 1990-05-09 EP disclosed
EP-0335834-A2 Heteroaromatic azo dyes CIBA-GEIGY AG (CH) 1989-10-04 EP disclosed
EP-0228565-A2 Sealing and sticking agents, pourable masses and coating agents based on methacrylic esters Henkel Kommanditgesellschaft auf Aktien (DE) 1987-07-15 EP disclosed
EP-0061109-B1 ADHESIVES AND SEALANTS Henkel Kommanditgesellschaft auf Aktien (DE) 1985-04-17 EP disclosed
EP-0061105-B1 ADHESIVES AND SEALANTS Henkel Kommanditgesellschaft auf Aktien (DE) 1984-09-26 EP disclosed
EP-0061109-A2 Adhesives and sealants Henkel Kommanditgesellschaft auf Aktien (DE) 1982-09-29 EP disclosed