SCHEMBL10697424

SCHEMBL10697424

COC(=O)CC(c1ccccc1)C(C#N)c1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDPK1 O15530 1/20 0.40
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PGR P06401 1/20 0.36
AR P10275 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
SCHEMBL10698385 0.91 S1PR3 (0.40) KMT2AMAPTHTTALDH1A1
SCHEMBL10697278 0.90 CYP2D6 (0.46) KCNA5KMT2AMEN1MAPTNPSR1
SCHEMBL10699742 0.90 PGR (0.43) KCNA5KMT2AMEN1MAPTNPSR1
SCHEMBL10452408 0.89 KCNA5 (0.38) KCNA5KMT2AMEN1MAPTNPSR1
SCHEMBL12611945 0.89 KCNA5 (0.38) KCNA5KMT2AMEN1MAPTNPSR1
SCHEMBL12611797 0.87 KMT2A (0.38) KCNA5KMT2AMEN1MAPTNPSR1
SCHEMBL10695685 0.87 KCNA5 (0.45) KCNA5KMT2AMAPTNPSR1KDM4E
SCHEMBL10695903 0.86 KCNA5 (0.53) KCNA5KMT2AHTTALDH1A1HPGD
SCHEMBL10696020 0.85 KCNA5 (0.46) KCNA5KMT2AMAPTNPSR1KDM4E
SCHEMBL10451133 0.83 KMT2A (0.49) KCNA5KMT2AMEN1MAPTNPSR1

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
EP-0270830-A1 Method for regulating plant growth using polysubstituted butyric acids, esters and derivatives thereof AMERICAN CYANAMID COMPANY (US) 1988-06-15 EP claimed