SCHEMBL4668570

SCHEMBL4668570

CCc1cccc(-c2cc(Nc3ccccc3C(=O)O)n(-c3c(C)cncc3C)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
MAPT P10636 6/20 0.41
TP53 P04637 3/20 0.41
FABP4 P15090 1/20 0.41
CLCN2 P51788 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
ADORA1 P30542 2/20 0.39
PDE4B Q07343 1/20 0.39
MEN1 O00255 5/20 0.38
LMNA P02545 5/20 0.38
KMT2A Q03164 5/20 0.38
TDP1 Q9NUW8 4/20 0.38
AKR1B10 O60218 1/20 0.38
TRPA1 O75762 1/20 0.38
ABCB11 O95342 1/20 0.38
DHFR P00374 1/20 0.38
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM1 P11229 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
Hydrochloric Acid SCHEMBL4669539 0.99 GFER (0.41) GFERMAPTTP53FABP4CLCN2
SCHEMBL14600486 0.94 PDE4B (0.43) GFERMAPTTP53FABP4CLCN2
SCHEMBL4665751 0.92 HPGD (0.43) GFERMAPTTP53MEN1LMNA
SCHEMBL4668419 0.89 FABP3 (0.39) MAPTTP53FABP4ADORA1PDE4B
SCHEMBL14600476 0.88 KDM4C (0.43) GFERMAPTTP53FABP4CLCN2
SCHEMBL4666522 0.86 KDM4C (0.43) GFERMAPTTP53FABP4CLCN2
SCHEMBL14600270 0.85 GFER (0.42) GFERMAPTTP53FABP4CLCN2
SCHEMBL14600717 0.84 ADORA1 (0.43) GFERMAPTTP53FABP4CLCN2
SCHEMBL14600673 0.84 DHODH (0.47) GFERMAPTTP53FABP4MEN1
SCHEMBL4668579 0.83 F2 (0.35) MAPTTP53PDE4BMEN1LMNA

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