SCHEMBL4667080

SCHEMBL4667080

COc1ccc(Nc2cc(C)nn2-c2cnccc2C)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.57
ADORA1 P30542 13/20 0.51
ADORA3 P0DMS8 1/20 0.47
KDM4C Q9H3R0 2/20 0.45
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NTRK1 P04629 1/20 0.41

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
SCHEMBL14600184 0.89 ADORA1 (0.49) GFERADORA1ADORA3KDM4CMEN1
SCHEMBL4793978 0.88 DHODH (0.47) GFERADORA1KDM4CMAPTSMN1; SMN2
SCHEMBL4667612 0.86 GFER (0.44) GFERADORA1KDM4CLMNAKMT2A
SCHEMBL4666768 0.86 ADORA1 (0.45) GFERADORA1KDM4CLMNAMAPT
SCHEMBL5005161 0.81 GFER (0.80) GFERADORA1KMT2AMAPTPOLB
SCHEMBL4665871 0.81 RAF1 (0.46) ADORA1
SCHEMBL6341693 0.79 GFER (0.63) GFERADORA1ADORA3MEN1LMNA
SCHEMBL5096109 0.78 GFER (0.57) GFERADORA1ADORA3LMNAKMT2A
SCHEMBL5008452 0.78 GFER (0.56) GFERADORA1ADORA3LMNAKMT2A
SCHEMBL8354329 0.76 GFER (0.49) GFERADORA1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928455-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Healthcare, LLC (US) 2008-06-11 EP disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed