SCHEMBL8608917

SCHEMBL8608917

CSc1cc(Cl)ccc1C(=O)CC#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KCNH2 Q12809 1/20 0.46
FLT1 P17948 2/20 0.39
FLT4 P35916 2/20 0.39
KDR P35968 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
CTSK P43235 2/20 0.38
GABRA1 P14867 4/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRB2 P47870 3/20 0.38
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 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
SCHEMBL29487646 0.79 ALDH1A1 (0.62) KMT2AMAPTMEN1KCNH2FLT1
SCHEMBL954348 0.79 ALDH1A1 (0.62) KMT2AMAPTMEN1KCNH2FLT1
SCHEMBL8490842 0.78 CYP2C19 (0.42) ALDH1A1CTSKCYP1A2CYP3A4CYP2C19
SCHEMBL11350806 0.76 MAPT (0.59) KMT2AMAPTMEN1KCNH2ALDH1A1
SCHEMBL29403310 0.76 MAPT (0.59) KMT2AMAPTMEN1KCNH2ALDH1A1
SCHEMBL2520383 0.76 MAPT (0.49) KMT2AMAPTMEN1KCNH2FLT1
SCHEMBL31515465 0.76 MAPT (0.49) KMT2AMAPTMEN1KCNH2FLT1
SCHEMBL23292560 0.76 MEN1 (0.59) KMT2AMAPTMEN1KCNH2FLT1
SCHEMBL11331688 0.76 ERCC5 (0.56) KMT2AMAPTMEN1KCNH2FLT1
SCHEMBL8607500 0.75 SMN1; SMN2 (0.42) KMT2AMAPTMEN1FLT1FLT4

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-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed
EP-0625505-A2 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed