SCHEMBL9309957

SCHEMBL9309957

COc1c(-c2ccccc2C#N)oc2ccc(C)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
TP53 P04637 3/20 0.41
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 8/20 0.40
CYP3A4 P08684 4/20 0.40
HSD17B10 Q99714 4/20 0.40
TSHR P16473 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
CSNK2A1 P68400 2/20 0.38
KCNH2 Q12809 1/20 0.37
ATM Q13315 1/20 0.36
HPGD P15428 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 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
SCHEMBL9308247 0.84 KCNH2 (0.46) MAPTTP53POLBKDM4ECYP3A4
SCHEMBL9316514 0.83 CYP3A4 (0.38) MAPTKDM4ECYP3A4HSD17B10TSHR
SCHEMBL9309635 0.82 CSNK2A2 (0.40) MAPTTP53POLBKDM4ECYP3A4
SCHEMBL9308810 0.80 KDM4E (0.38) MAPTTP53POLBKDM4ECYP3A4
SCHEMBL9312055 0.79 AR (0.38) MAPTTP53POLBKDM4ECYP3A4
SCHEMBL9309961 0.78 AR (0.34) TP53POLBRXFP1KDM4ECYP3A4
SCHEMBL9308252 0.74 TSHR (0.37) MAPTTP53POLBKDM4ECYP3A4
SCHEMBL9309638 0.72 PTGES (0.36) MAPTTP53POLBKDM4ECYP3A4
SCHEMBL9308818 0.70 KDM4E (0.34) MAPTTP53POLBKDM4ECYP3A4
SCHEMBL9312060 0.69 AR (0.39) MAPTPOLBKDM4ECYP3A4TSHR

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
US-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed