SCHEMBL9309961

SCHEMBL9309961

COc1oc(-c2ccccc2C#N)c2ccc(C)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.34
PGR P06401 2/20 0.34
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 3/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FGFR3 P22607 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL9316521 0.84 FGFR3 (0.34) ARPGRIMPDH2IMPDH1ALDH1A1
SCHEMBL9308252 0.83 TSHR (0.37) ALDH1A1GAATSHRKDM4EHPGD
SCHEMBL9309638 0.81 PTGES (0.36) ALDH1A1GAATSHRKDM4EHPGD
SCHEMBL9308818 0.79 KDM4E (0.34) ARALDH1A1GAATSHRKDM4E
SCHEMBL9309957 0.78 MAPT (0.41) ALDH1A1TSHRKDM4EHPGDMEN1
SCHEMBL9312060 0.78 AR (0.39) ARPGRALDH1A1GAATSHR
SCHEMBL9309635 0.75 CSNK2A2 (0.40) ALDH1A1TSHRKDM4EHPGDMEN1
SCHEMBL9308247 0.74 KCNH2 (0.46) ALDH1A1TSHRKDM4EHPGDMEN1
SCHEMBL8550394 0.71 TSHR (0.36) ALDH1A1GAATSHRKDM4EHPGD
SCHEMBL9308810 0.70 KDM4E (0.38) ALDH1A1TSHRKDM4EHPGDMEN1

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