SCHEMBL9017595

SCHEMBL9017595

Oc1cc(C2CC2)nc(Nc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
RHOA P61586 1/20 0.42
SRC P12931 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
NEK1 Q96PY6 1/20 0.40
POLB P06746 1/20 0.40
KCNH3 Q9ULD8 3/20 0.40
SYK P43405 1/20 0.40
LMNA P02545 1/20 0.40
NPY5R Q15761 1/20 0.39

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 0.89 ALDH1A1 (0.49) ALDH1A1MEN1MAPTKMT2ANFKB1
SCHEMBL9499269 0.82 RECQL (0.45) ALDH1A1MEN1MAPTKMT2ANFKB1
Cyprodinil SCHEMBL29421756 0.81 TAAR1 (0.55) ALDH1A1MEN1MAPTKMT2ANFKB1
Cyprodinil SCHEMBL22669 0.81 TAAR1 (0.55) ALDH1A1MEN1MAPTKMT2ANFKB1
SCHEMBL9017592 0.81 MAPT (0.50) ALDH1A1MEN1MAPTKMT2ANFKB1
SCHEMBL9505971 0.81 MEN1 (0.55) ALDH1A1MEN1MAPTKMT2ANFKB1
Cyprodinil SCHEMBL12471945 0.80 SMN1; SMN2 (0.54) ALDH1A1MEN1MAPTKMT2AMAPK1
SCHEMBL9499283 0.79 KCNH3 (0.41) ALDH1A1MEN1MAPTKMT2ANFKB1
SCHEMBL9501348 0.79 ALDH1A1 (0.44) ALDH1A1MEN1MAPTKMT2ANFKB1
SCHEMBL9501015 0.79 KCNH3 (0.41) ALDH1A1MEN1MAPTKMT2ANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2286666-A None JP disclosed
EP-0388838-B1 Parasiticide CIBA GEIGY AG (CH) 1996-01-10 EP disclosed
US-5075316-A For plants CIBA-GEIGY CORPORATION (US) 1991-12-24 US disclosed
JP-H02286666-A PEST CONTROL COMPOSITION CIBA GEIGY AG 1990-11-26 JP disclosed
EP-0388838-A2 Parasiticide CIBA-GEIGY AG (CH) 1990-09-26 EP disclosed