SCHEMBL4668419

SCHEMBL4668419

CCc1cccc(-c2cc(Nc3ccc(F)cc3C(=O)O)n(-c3c(C)cncc3C)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
METAP2 P50579 1/20 0.39
DHODH Q02127 9/20 0.39
P2RY4 P51582 1/20 0.37
ADORA1 P30542 1/20 0.36
MPO P05164 1/20 0.36
PDE4B Q07343 1/20 0.36
F2 P00734 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL4668579 0.92 F2 (0.35) PDE4BF2TP53MAPTLMNA
SCHEMBL4668570 0.89 GFER (0.42) FABP4DHODHADORA1MPOPDE4B
Hydrochloric Acid SCHEMBL4669539 0.89 GFER (0.41) FABP4DHODHADORA1MPOPDE4B
SCHEMBL14600212 0.87 KDM4C (0.38) FABP3FABP4DHODHADORA1F2
SCHEMBL14600248 0.85 DHODH (0.38) FABP3FABP4METAP2DHODHADORA1
SCHEMBL14600486 0.84 PDE4B (0.43) FABP3FABP4ADORA1PDE4BTP53
SCHEMBL14600669 0.83 DHODH (0.38) FABP3FABP4METAP2DHODHADORA1
SCHEMBL4665751 0.83 HPGD (0.43) TP53MAPTLMNA
SCHEMBL14600213 0.83 ADORA1 (0.39) FABP3FABP4METAP2DHODHADORA1
SCHEMBL14600226 0.81 ALDH1A1 (0.40) FABP3FABP4ADORA1TP53MAPT

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