SCHEMBL4456483

SCHEMBL4456483

N#[N+]c1cccc2c1ccc1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.58
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP2A6 P11509 1/20 0.50
TSHR P16473 1/20 0.50
CYP3A4 P08684 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
APEX1 P27695 1/20 0.44
PMP22 Q01453 1/20 0.44
PAX8 Q06710 1/20 0.43
CYP1A2 P05177 4/20 0.43
HPGD P15428 3/20 0.43
HIF1A Q16665 2/20 0.43
CYP1B1 Q16678 1/20 0.43
THRB P10828 1/20 0.43
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39

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
SCHEMBL109571 0.87 ALDH1A1 (0.46) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL29868229 0.87 ALDH1A1 (0.46) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Hydrochloric Acid SCHEMBL11864848 0.85 ALDH1A1 (0.43) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Hydrochloric Acid SCHEMBL8502399 0.85 ALDH1A1 (0.43) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL31601104 0.82 CYP1A2 (0.32) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL31601103 0.82 CYP1A2 (0.32) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL31619924 0.79 ALDH1A1 (0.39) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL241071 0.79 ALDH1A1 (0.39) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL27639687 0.78 ALDH1A1 (0.37) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL27809884 0.78 ALDH1A1 (0.37) HPRT1ALDH1A1HSD17B10TDP1CYP2A6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200281203-A1 Herbicide Formulations and their Use TANGI-PAC, L.L.C. (US) 2020-09-10 US disclosed
CN-103857785-A Use of fungicides in liquid systems SAPPHIRE ENERGY INC 2014-06-11 CN disclosed
US-7481908-B2 System and a process for obtaining high purity phenanthrene from phenanthrene enriched coal tar fraction COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-01-27 US disclosed
EP-1490455-B1 A PROCESS FOR OBTAINING HIGH PURITY PHENANTHRENE AND A SYSTEM THEREOF COUNCIL SCIENT IND RES (IN) 2007-07-25 EP disclosed
EP-1490455-A1 A PROCESS FOR OBTAINING HIGH PURITY PHENANTHRENE AND A SYSTEM THEREOF Council of Scientific and Industrial Research;an Indian Reg. body incorporated under Reg. of Societies Act (Act XXI of 1860) (IN) 2004-12-29 EP disclosed
US-20030183499-A1 System and a process for obtaining high purity phenanthrene from phenanthrene enriched coal tar fraction TIWARI KAUSHAL KISHORE (IN) 2003-10-02 US disclosed
WO-2003080767-A1 A PROCESS FOR OBTAINING HIGH PURITY PHENANTHRENE AND A SYSTEM THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-10-02 WO disclosed
US-5453542-A Preparation of 4,6-diaminoresorcinol through a bisazoarylresorcinol intermediate THE DOW CHEMICAL COMPANY (US) 1995-09-26 US disclosed