SCHEMBL9017639

SCHEMBL9017639

COc1cc(C2CC2)nc(Nc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 2/20 0.50
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
KCNH3 Q9ULD8 4/20 0.41
MERTK Q12866 2/20 0.41
NPY5R Q15761 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL9499662 0.85 ALDH1A1 (0.49) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL15216186 0.84 SRC (0.40) VSIRMEN1MAPTKMT2AALDH1A1
SCHEMBL1927913 0.83 VSIR (0.61) VSIRMEN1MAPTKMT2AALDH1A1
Cyprodinil SCHEMBL29421756 0.81 TAAR1 (0.55) MEN1MAPTKMT2AALDH1A1MAPK1
Cyprodinil SCHEMBL22669 0.81 TAAR1 (0.55) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL9502856 0.81 KCNH3 (0.46) VSIRMEN1MAPTKMT2AALDH1A1
Cyprodinil SCHEMBL12471945 0.79 SMN1; SMN2 (0.54) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL9501348 0.78 ALDH1A1 (0.44) VSIRMEN1MAPTKMT2AALDH1A1
SCHEMBL9017592 0.78 MAPT (0.50) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL9017595 0.78 ALDH1A1 (0.42) MEN1MAPTKMT2AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1034255-C Composition for controlling and preventing harmful insects and biocides CIBA GEIGY AG (CH) 1997-03-19 CN disclosed
EP-0388838-B1 Parasiticide CIBA GEIGY AG (CH) 1996-01-10 EP disclosed
CN-1024489-C Method for controlling harmful insects and microorganisms on plants CIBA GEIGY AG (CH) 1994-05-18 CN disclosed
CN-1064191-A The composition of control or prevention harmful insect or microorganism encroach CIBA GEIGY AG (CH) 1992-09-09 CN disclosed
US-5075316-A For plants CIBA-GEIGY CORPORATION (US) 1991-12-24 US disclosed
EP-0388838-A2 Parasiticide CIBA-GEIGY AG (CH) 1990-09-26 EP disclosed
CN-1032338-A Microbicide CIBA GEIGY AG (CH) 1989-04-12 CN disclosed