SCHEMBL9681946

SCHEMBL9681946

COC(=O)CC(c1cccc(Cl)c1)C(C#N)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.41
OPRL1 P41146 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KCNA5 P22460 2/20 0.38
PNP P00491 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
GLA P06280 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
WDR5 P61964 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL10695128 0.93 KCNA5 (0.41) CNR2KCNA5ALDH1A1KMT2APGR
SCHEMBL10452409 0.91 KMT2A (0.44) KCNA5PNPALDH1A1HPGDKMT2A
SCHEMBL10697346 0.91 KMT2A (0.42) OPRM1OPRL1CNR1CNR2KCNA5
SCHEMBL10452408 0.90 KCNA5 (0.38) KCNA5PNPALDH1A1HPGDKMT2A
SCHEMBL12611945 0.90 KCNA5 (0.38) KCNA5PNPALDH1A1HPGDKMT2A
SCHEMBL10699742 0.89 PGR (0.43) CNR1CNR2KCNA5ALDH1A1KMT2A
SCHEMBL10695685 0.89 KCNA5 (0.45) CNR2KCNA5ALDH1A1HPGDKMT2A
SCHEMBL10451128 0.87 KMT2A (0.46) CNR2KCNA5ALDH1A1HPGDKMT2A
SCHEMBL10451133 0.87 KMT2A (0.49) KCNA5ALDH1A1HPGDKMT2AMEN1
SCHEMBL10452397 0.87 KMT2A (0.49) KCNA5ALDH1A1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102447-A Applying 1-(3-chlorophthalimido)cyclohexanecarboxamide to the roots, seeds, leaves or soil surrounding crops to prevent phytotoxic effects of terbufos AMERICAN CYANAMID COMPANY (US) 1992-04-07 US disclosed