SCHEMBL7094835

SCHEMBL7094835

COc1ccc(C2=Cc3ncccc3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.49
CYP11B2 P19099 5/20 0.46
CYP11B1 P15538 4/20 0.46
CYP19A1 P11511 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
SYK P43405 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
AURKA O14965 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
RIPK1 Q13546 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
ACHE P22303 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL7093600 0.83 CYP11B1 (0.41) CYP11B2CYP11B1CYP19A1KDM4EALDH1A1
SCHEMBL7094263 0.81 CYP11B1 (0.45) CYP11B2CYP11B1CYP19A1ALDH1A1RAB9A
SCHEMBL7095208 0.80 CYP11B1 (0.47) CYP11B2CYP11B1CYP19A1KDM4EALDH1A1
SCHEMBL7096288 0.80 CYP11B1 (0.37) CYP11B2CYP11B1CYP19A1KDM4EALDH1A1
SCHEMBL7094267 0.80 CYP11B1 (0.37) CYP11B2CYP11B1KDM4EALDH1A1RAB9A
SCHEMBL7090601 0.79 KMT2A (0.44) CYP11B2CYP11B1KDM4EALDH1A1HPGD
SCHEMBL7090626 0.78 CYP11B1 (0.36) CYP11B2CYP11B1KDM4ERIPK1
SCHEMBL7093370 0.76 KIF11 (0.41) CYP11B2CYP11B1NPC1ACHEPDCD1
SCHEMBL7090607 0.75 CYP11B1 (0.36) CYP11B2CYP11B1CYP19A1ALDH1A1RAB9A
SCHEMBL7096394 0.74 PTGS2 (0.57) CYP11B2CYP11B1CYP19A1ALDH1A1

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 4 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
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