SCHEMBL14600686

SCHEMBL14600686

Cc1cncc(Cl)c1-n1nc(-c2cccc(C(C)C)c2)cc1Nc1ccccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 0.40
PDE4B Q07343 1/20 0.40
GFER P55789 1/20 0.39
MAPT P10636 5/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 1/20 0.39
MT-CO2 P00403 1/20 0.39
TTR P02766 1/20 0.39
PLA2G1B P04054 1/20 0.39
CYP1A2 P05177 1/20 0.39
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL14600687 0.90 FABP3 (0.42) FTOPDE4BMAPTFABP4FABP3
SCHEMBL14600690 0.90 CLCN2 (0.40) PDE4BMAPTTP53MEN1LMNA
SCHEMBL14600694 0.89 PDE4B (0.39) FTOPDE4BMAPTTP53MEN1
SCHEMBL14600681 0.88 DHODH (0.44) FTOPDE4BGFERMAPTTP53
SCHEMBL14600499 0.87 FABP3 (0.45) PDE4BMAPTTP53FABP4FABP3
SCHEMBL14600486 0.86 PDE4B (0.43) FTOPDE4BGFERMAPTTP53
SCHEMBL14600271 0.83 GRM5 (0.49) FTOGFERMAPTMEN1LMNA
SCHEMBL14600673 0.82 DHODH (0.47) GFERMAPTTP53MEN1LMNA
SCHEMBL4668570 0.80 GFER (0.42) FTOPDE4BGFERMAPTTP53
Hydrochloric Acid SCHEMBL4669539 0.79 GFER (0.41) FTOPDE4BGFERMAPTTP53

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