SCHEMBL8961597

SCHEMBL8961597

O=Cc1cc(C2CC2)nc(Nc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RHOA P61586 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
NEK1 Q96PY6 1/20 0.38
POLB P06746 1/20 0.38
KCNH3 Q9ULD8 4/20 0.37
NPY5R Q15761 1/20 0.37
LMNA P02545 1/20 0.37
CAMKK1 Q8N5S9 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
DGAT1 O75907 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 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
SCHEMBL9499662 0.85 ALDH1A1 (0.49) SRCALDH1A1RHOAMEN1MAPT
Cyprodinil SCHEMBL2553905 0.80 TAAR1 (0.46) SRCALDH1A1MEN1MAPTKMT2A
Cyprodinil SCHEMBL29421756 0.78 TAAR1 (0.55) ALDH1A1MEN1MAPTKMT2ANFKB1
SCHEMBL9017592 0.78 MAPT (0.50) SRCALDH1A1MEN1MAPTKMT2A
SCHEMBL9017595 0.78 ALDH1A1 (0.42) SRCALDH1A1RHOAMEN1MAPT
Cyprodinil SCHEMBL22669 0.78 TAAR1 (0.55) ALDH1A1MEN1MAPTKMT2ANFKB1
Cyprodinil SCHEMBL12471945 0.77 SMN1; SMN2 (0.54) ALDH1A1MEN1MAPTKMT2AMAPK1
SCHEMBL8961602 0.76 TAAR1 (0.56) ALDH1A1MEN1MAPTKMT2ANFKB1
SCHEMBL9499283 0.75 KCNH3 (0.41) SRCALDH1A1MEN1MAPTKMT2A
SCHEMBL9501015 0.75 KCNH3 (0.41) SRCALDH1A1MEN1MAPTKMT2A

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 10 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-0457726-B1 2-Anilinopyrimidine derivatives as pesticides CIBA GEIGY AG (CH) 1996-02-07 EP disclosed
US-5439912-A Plant fungicide, insecticide, pesticide CIBA-GEIGY CORPORATION (US) 1995-08-08 US disclosed
EP-0310550-B1 PESTICIDE CIBA-GEIGY AG (CH) 1993-05-26 EP disclosed
US-5153200-A Insecticides, microbiocides CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0457727-A1 Pesticides CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed
EP-0457726-A1 2-Anilinopyrimidine derivatives as pesticides CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed
US-4997941-A Insecticides for plant protection, also used as fungicides CIBA-GEIGY CORPORATION (US) 1991-03-05 US disclosed
US-4931560-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
EP-0310550-A1 Pesticide CIBA-GEIGY AG (CH) 1989-04-05 EP disclosed