SCHEMBL8790751

SCHEMBL8790751

COc1ccc(-c2[nH]c3ccc(OC)c(CCCCCCCCSc4ccccn4)c3c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 5/20 0.44
CDK1 P06493 5/20 0.44
CCNB1 P14635 5/20 0.44
GSK3A P49840 5/20 0.44
GSK3B P49841 5/20 0.44
CCNB3 Q8WWL7 5/20 0.44
CDK5 Q00535 4/20 0.41
CDK5R1 Q15078 4/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
ZAP70 P43403 1/20 0.41
PTK2B Q14289 1/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM2 Q14416 1/20 0.37

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
SCHEMBL8791452 0.81 CCNB2 (0.48) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8790282 0.80 CCNB2 (0.40) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7696222 0.79 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL9027913 0.79 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL9026910 0.76 CCNB2 (0.40) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8789634 0.73 CCNB2 (0.47) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8789465 0.73 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL9028624 0.73 TLR7 (0.42) MAPT
SCHEMBL9029036 0.72 TLR9 (0.41) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8789573 0.71 BCHE (0.38) CCNB2CDK1CCNB1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772591-A1 2-PHENYL INDOLES AS ANTI-OESTROGEN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-14 EP disclosed
WO-1996003375-A1 2-PHENYL INDOLES AS ANTI-OESTROGEN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-08 WO disclosed