SCHEMBL7093600

SCHEMBL7093600

Cc1ccc(C2=Cc3ncccc3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
COMT P21964 1/20 0.36
ACHE P22303 2/20 0.35
CD274 Q9NZQ7 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL7090607 0.85 CYP11B1 (0.36) CYP11B1CYP11B2ACHENPC1RAB9A
SCHEMBL7094263 0.85 CYP11B1 (0.45) CYP11B1CYP11B2NPC1RAB9ACYP19A1
SCHEMBL7095208 0.84 CYP11B1 (0.47) CYP11B1CYP11B2NPC1RAB9ACYP19A1
SCHEMBL7094267 0.83 CYP11B1 (0.37) CYP11B1CYP11B2ACHENPC1RAB9A
SCHEMBL7096288 0.83 CYP11B1 (0.37) CYP11B1CYP11B2ACHECD274NPC1
SCHEMBL7090601 0.83 KMT2A (0.44) CYP11B1CYP11B2RAB9AALDH1A1KDM4E
SCHEMBL7094835 0.83 CLK4 (0.49) CYP11B1CYP11B2ACHECD274NPC1
SCHEMBL7090626 0.82 CYP11B1 (0.36) CYP11B1CYP11B2KDM4EGRIN1GRIN2B
SCHEMBL7093370 0.80 KIF11 (0.41) CYP11B1CYP11B2ACHECD274NPC1
SCHEMBL7095163 0.77 MAOB (0.45) NPC1RAB9AKDM4EMEN1KMT2A

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