SCHEMBL8035563

SCHEMBL8035563

N#Cc1cc[c]cc1.[c]1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
MAOB P27338 4/20 0.43
MAOA P21397 3/20 0.43
CYP2A6 P11509 2/20 0.40
CA2 P00918 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HDAC8 Q9BY41 2/20 0.37
LOXL2 Q9Y4K0 2/20 0.36
MMP3 P08254 1/20 0.36
ENPP2 Q13822 1/20 0.36
MAPT P10636 2/20 0.34
CYP11B2 P19099 1/20 0.33
CA1 P00915 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
Benzonitrile SCHEMBL3632311 0.90 TSHR (0.74) TSHRMAOBMAOACYP2A6CA2
Water SCHEMBL28104447 0.89
SCHEMBL2015 0.89
Ammonia Solution, Strong SCHEMBL28112429 0.86
SCHEMBL28210590 0.86
SCHEMBL28182981 0.86
Hydrochloric Acid SCHEMBL27915667 0.86 TSHR (0.50) TSHRMAOBMAOACYP2A6CA2
SCHEMBL27481862 0.86
Hydrochloric Acid SCHEMBL28028825 0.86
Water SCHEMBL28196884 0.83 TSHR (0.48) TSHRMAOBMAOACYP2A6CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963415-B1 PMMA FILM FEATURING PARTICULARLY GREAT WEATHER RESISTANCE AND GREAT UV PROTECTION EVONIK ROEHM GMBH (DE) 2015-10-14 EP disclosed
EP-2919773-A1 METHODS OF TREATMENT OF KERATINOCYTE-DERIVED LESIONS The Trustees of Columbia University in the City of New York (US) 2015-09-23 EP disclosed
WO-2014078868-A1 METHODS OF TREATMENT OF KERATINOCYTE-DERIVED LESIONS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-05-22 WO disclosed
EP-2160437-B1 PMMA/PVDF FILM WITH PARTICULARLY HIGH WEATHERING STABILITY AND HIGH UV PROTECTIVE ACTION EVONIK ROEHM GMBH (DE) 2013-05-22 EP disclosed
EP-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 EP disclosed
US-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
EP-0659829-B1 Weather-resistant sheet and articles coated therewith ROEHM GMBH (DE) 1998-09-09 EP disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed
EP-0659829-A1 Weather-resistant sheet and articles coated therewith RÖHM GMBH (DE) 1995-06-28 EP disclosed