SCHEMBL7091333

SCHEMBL7091333

Nc1ccc(C2C=Cc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.53
HTR2A P28223 1/20 0.38
MAOA P21397 1/20 0.33
CYP3A4 P08684 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
Benzene SCHEMBL28734247 0.98 HTR6 (0.51) HTR6HTR2AMAOACYP3A4TAAR1
SCHEMBL27460809 0.90 HTR2A (0.40) HTR6HTR2ACYP3A4HSD17B10MEN1
SCHEMBL1028466 0.84 HTR2A (0.39) HTR6HTR2ACYP3A4HSD17B10KDM4E
SCHEMBL2830664 0.82 PRCP (0.39) HTR6HTR2ACYP3A4HSD17B10TDP1
SCHEMBL9145143 0.82 HTR2A (0.38) HTR6HTR2ACYP3A4HSD17B10KDM4E
Ammonia Solution, Strong SCHEMBL21245914 0.82 HTR2A (0.38) HTR6HTR2ACYP3A4HSD17B10KDM4E
Lithium SCHEMBL9145147 0.82 HTR2A (0.38) HTR6HTR2ACYP3A4HSD17B10KDM4E
Methane SCHEMBL28813011 0.82 HTR2A (0.38) HTR6HTR2ACYP3A4HSD17B10KDM4E
SCHEMBL9145856 0.82 HTR2A (0.38) HTR6HTR2ACYP3A4HSD17B10KDM4E
SCHEMBL9145850 0.82 HTR2A (0.38) HTR6HTR2ACYP3A4HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910560-B1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-09-17 EP disclosed
US-6271411-B1 REACTING AN INDENE WITH AN ARENE COMPOUND SUBSTITUTED WITH AN HALOGEN ATOM, PREFERABLY A IODINE ATOM, OR WITH AN ORGANOSULPHONATE GROUP, IN A BASIC MEDIUM IN THE PRESENCE OF A PALLADIUM CATALYST. MONTELL TECHNOLOGY COMPANY BV (NL) 2001-08-07 US disclosed
CN-1228072-A Process for preparing 2-aryl-substituted indenes MONTELL TECHNOLOGY COMPANY BV (NL) 1999-09-08 CN disclosed
EP-0910560-A1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES Montell Technology Company bv (NL) 1999-04-28 EP disclosed
WO-1998046547-A1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-10-22 WO disclosed