SCHEMBL7091350

SCHEMBL7091350

Nc1ccc(C2=Cc3ccccc3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.53
CYP11B1 P15538 2/20 0.53
PTGS2 P35354 3/20 0.45
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
HTR6 P50406 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8058170 0.84 CYP11B2 (0.61) CYP11B2CYP11B1PTGS2IP6K1IP6K3
SCHEMBL6285180 0.84 CYP11B2 (0.61) CYP11B2CYP11B1PTGS2IP6K1IP6K3
SCHEMBL31608568 0.84 CYP11B2 (0.65) CYP11B2CYP11B1PTGS2IP6K1IP6K3
SCHEMBL319265 0.84 CYP11B2 (0.65) CYP11B2CYP11B1PTGS2IP6K1IP6K3
SCHEMBL6287169 0.82 CYP11B1 (0.54) CYP11B2CYP11B1PTGS2IP6K1IP6K3
SCHEMBL30487694 0.82 CYP11B1 (0.54) CYP11B2CYP11B1PTGS2IP6K1IP6K3
SCHEMBL31666281 0.82 CYP11B2 (0.62) CYP11B2CYP11B1PTGS2IP6K1IP6K3
SCHEMBL25358298 0.81 CYP11B2 (0.53) CYP11B2CYP11B1PTGS2IP6K1IP6K3
SCHEMBL7090742 0.81 CYP11B1 (0.53) CYP11B2CYP11B1PTGS2IP6K1IP6K3
SCHEMBL16516818 0.81 CYP11B2 (0.53) CYP11B2CYP11B1PTGS2IP6K1IP6K3

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