SCHEMBL8961467

SCHEMBL8961467

Cc1cc(C#N)nc(Nc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
ALDH1A1 P00352 1/20 0.54
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
SLC2A1 P11166 3/20 0.51
ADORA2A P29274 3/20 0.50
ADORA1 P30542 2/20 0.50
CTSK P43235 1/20 0.49
ADORA2B P29275 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
PTPN7 P35236 1/20 0.47
CREBBP Q92793 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46

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
SCHEMBL8961528 0.84 SLC2A1 (0.49) TAAR1ALDH1A1HTTSMN1; SMN2SLC2A1
Mepanipyrim SCHEMBL22040 0.83 TAAR1 (0.55) TAAR1ALDH1A1HTTSMN1; SMN2SLC2A1
Mepanipyrim SCHEMBL29672635 0.83 TAAR1 (0.55) TAAR1ALDH1A1HTTSMN1; SMN2SLC2A1
Pyrimethanil SCHEMBL20817 0.82 SMN1; SMN2 (0.71) TAAR1ALDH1A1HTTSMN1; SMN2SLC2A1
Mepanipyrim SCHEMBL28756483 0.81 TAAR1 (0.54) TAAR1ALDH1A1HTTSMN1; SMN2SLC2A1
Pyrimethanil SCHEMBL22041985 0.81 SMN1; SMN2 (0.69) TAAR1ALDH1A1HTTSMN1; SMN2SLC2A1
Pyrimethanil SCHEMBL10664468 0.81 SMN1; SMN2 (0.69) TAAR1ALDH1A1HTTSMN1; SMN2SLC2A1
SCHEMBL8961457 0.80 ADORA2A (0.47) ADORA2AADORA1CTSKADORA2BTDP1
SCHEMBL9795987 0.79 TAAR1 (0.51) TAAR1HTTSMN1; SMN2SLC2A1USP2
Mepanipyrim SCHEMBL28515840 0.77 RAB9A (0.50) TAAR1ALDH1A1HTTSMN1; SMN2SLC2A1

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
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
JP-4226963-A None JP 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
JP-H04226963-A AGRICULTURAL CHEMICALS CIBA GEIGY AG 1992-08-17 JP disclosed
EP-0457726-A1 2-Anilinopyrimidine derivatives as pesticides CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed