SCHEMBL14600709

SCHEMBL14600709

CCc1cc(Nc2ccc(Cl)cc2C(=O)O)n(-c2ccccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ADORA1 P30542 1/20 0.42
DHODH Q02127 1/20 0.41
MAPK14 Q16539 1/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
SPR P35270 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIK1 P39086 1/20 0.40
HSD17B10 Q99714 2/20 0.39
GRM5 P41594 2/20 0.38
HMOX1 P09601 1/20 0.38
KCNH2 Q12809 1/20 0.38
MPO P05164 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
SCHEMBL4665548 0.90 ALDH1A1 (0.43) MARS1KMT2AMEN1MAPK14SPR
SCHEMBL6353421 0.85 MEN1 (0.41) KMT2AMEN1DHODHMAPK14KDM4E
SCHEMBL6342666 0.81 OXTR (0.51) MARS1KMT2AMEN1ADORA1DHODH
SCHEMBL6343631 0.76 MEN1 (0.52) KMT2AMEN1ADORA1DHODHALDH1A1
SCHEMBL6344686 0.75 KMT2A (0.53) KMT2AMEN1MAPK14ALDH1A1
SCHEMBL6345124 0.75 MEN1 (0.56) KMT2AMEN1ALDH1A1
SCHEMBL6340206 0.74 GFER (0.62) KMT2AMEN1SPRKDM4EALDH1A1
SCHEMBL4664691 0.74 ADORA1 (0.43) KMT2AMEN1ADORA1DHODH
SCHEMBL6339758 0.73 MAPT (0.64) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL9880025 0.73 ALDH1A1 (0.53) MARS1KMT2AMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed