SCHEMBL4667612

SCHEMBL4667612

Cc1cc(Nc2ccc(F)cc2C(=O)O)n(-c2cnccc2C)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.44
DHODH Q02127 5/20 0.43
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
ADORA1 P30542 1/20 0.41
P2RX7 Q99572 1/20 0.41
KDM4C Q9H3R0 6/20 0.40
FTO Q9C0B1 1/20 0.40
P2RY4 P51582 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL4793978 0.89 DHODH (0.47) GFERDHODHMAPTADORA1KDM4C
SCHEMBL4666768 0.88 ADORA1 (0.45) GFERDHODHMAPTKDM4EHTT
SCHEMBL4667080 0.86 GFER (0.57) GFERMAPTADORA1KDM4CLMNA
SCHEMBL14600212 0.81 KDM4C (0.38) DHODHMAPTKDM4EADORA1P2RX7
SCHEMBL14600184 0.75 ADORA1 (0.49) GFERMAPTADORA1KDM4CLMNA
SCHEMBL14600217 0.74 MAPK14 (0.50) GFERMAPTADORA1
SCHEMBL5008506 0.74 MAPK14 (0.58) ADORA1P2RY4
SCHEMBL6342122 0.73 GFER (0.53) GFERMAPTHTTFTOALDH1A1
SCHEMBL14600238 0.72 MAPK14 (0.53)
SCHEMBL6351819 0.72 GFER (0.49) GFERMAPTHTTALDH1A1LMNA

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 2 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