SCHEMBL4007708

SCHEMBL4007708

CCCc1nc(-c2ccc(Cl)cc2)nc(OCC)c1OC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
NAMPT P43490 2/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 5/20 0.38
DHPS P49366 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
CTRC Q99895 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL4007701 0.83 CTRC (0.41) CYP1A2POLBNAMPTMAPTADORA3
SCHEMBL4010263 0.82 DHPS (0.41) CYP1A2POLBNAMPTMAPTCNR1
SCHEMBL4008512 0.81 MAPT (0.42) CYP1A2POLBMAPTDHPSADORA3
SCHEMBL4006533 0.80 PDE4B (0.39) CYP1A2POLBNAMPTMAPTDHPS
SCHEMBL4014827 0.78 NAMPT (0.37) CYP1A2POLBNAMPTMAPTDHPS
SCHEMBL4015692 0.76 DHPS (0.40) CYP1A2POLBNAMPTMAPTCNR1
SCHEMBL8027468 0.75 DHODH (0.41) CYP1A2POLBNAMPTMAPTDHPS
SCHEMBL4008889 0.75 DHPS (0.41) CYP1A2POLBMAPTDHPSADORA3
SCHEMBL4009408 0.73 DHPS (0.39) CYP1A2POLBNAMPTMAPTCNR1
SCHEMBL4009395 0.73 CNR1 (0.41) NAMPTCNR1

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-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed