SCHEMBL11857134

SCHEMBL11857134

COc1cc(CCl)ccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.50
TTR P02766 2/20 0.49
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PGR P06401 1/20 0.45
IMPDH2 P12268 1/20 0.43
IMPDH1 P20839 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL2020304 0.89 ALDH1A1 (0.56) ARTTRKDM4EUSP2ALDH1A1
SCHEMBL12188729 0.84 AR (0.55) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL2787679 0.82 AR (0.50) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL25735784 0.82 AR (0.50) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL6483428 0.82 KDM4E (0.51) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL25077588 0.82 AR (0.50) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL2786569 0.82 AR (0.58) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL7669160 0.82 AR (0.50) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL14405827 0.81 AR (0.56) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL13547923 0.79 AR (0.51) ARKDM4EUSP2ALDH1A1PGR

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
WO-2017024996-A1 HYDROXY AMIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF 江苏恒瑞医药股份有限公司 2017-02-16 WO disclosed
US-3956363-A Substituted indenyl acetic acids MERCK & CO., INC. (US) 1976-05-11 US disclosed