SCHEMBL8961454

SCHEMBL8961454

N#Cc1cc(C2CC2)nc(Nc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.46
ADORA2A P29274 5/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSK P43235 1/20 0.42
ADORA2B P29275 3/20 0.41
TDP1 Q9NUW8 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) KDM4EMAPTGAAMEN1ALDH1A1
SCHEMBL9017595 0.78 ALDH1A1 (0.42) KDM4EMAPTGAAMEN1ALDH1A1
SCHEMBL9017592 0.78 MAPT (0.50) KDM4EMAPTGAAMEN1ALDH1A1
Cyprodinil SCHEMBL22669 0.78 TAAR1 (0.55) KDM4EMAPTGAAMEN1ALDH1A1
Cyprodinil SCHEMBL29421756 0.78 TAAR1 (0.55) KDM4EMAPTGAAMEN1ALDH1A1
Cyprodinil SCHEMBL12471945 0.77 SMN1; SMN2 (0.54) KDM4EMAPTGAAMEN1ALDH1A1
SCHEMBL8961467 0.76 TAAR1 (0.56) ADORA1ADORA2AKDM4EMAPTALDH1A1
Mepanipyrim SCHEMBL18132072 0.76 TAAR1 (0.44) KDM4EMAPTGAAMEN1ALDH1A1
SCHEMBL8961457 0.75 ADORA2A (0.47) ADORA1ADORA2ACTSKADORA2BTDP1
SCHEMBL9499283 0.75 KCNH3 (0.41) KDM4EMAPTGAAMEN1ALDH1A1

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
EP-0457726-B1 2-Anilinopyrimidine derivatives as pesticides CIBA GEIGY AG (CH) 1996-02-07 EP claimed
EP-0457726-A1 2-Anilinopyrimidine derivatives as pesticides CIBA-GEIGY AG (CH) 1991-11-21 EP claimed
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-0457726-A1 2-Anilinopyrimidine derivatives as pesticides CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed