SCHEMBL8027468

SCHEMBL8027468

CCCOc1nc(-c2ccc(Cl)cc2)nc(CCC)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
CTRC Q99895 1/20 0.40
NAMPT P43490 2/20 0.39
POLB P06746 3/20 0.38
CYP1A2 P05177 2/20 0.38
DHPS P49366 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RARB P10826 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37

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 0.92 CTRC (0.41) CTRCNAMPTPOLBCYP1A2MAPT
SCHEMBL8036259 0.87 NR1H4 (0.39) CTRCNAMPTPOLBCYP1A2MAPT
SCHEMBL8032185 0.87 LMNA (0.45) POLBCYP1A2MAPTADORA3KDM4E
SCHEMBL8021759 0.85 KDM4E (0.49) DHODHCTRCPOLBCYP1A2DHPS
SCHEMBL8032814 0.85 NAMPT (0.39) CTRCNAMPTPOLBCYP1A2MAPT
SCHEMBL4008885 0.82 FABP3 (0.41) DHODHCTRCPOLBCYP1A2DHPS
SCHEMBL4009406 0.81 FABP4 (0.42) DHODHCTRCNAMPTPOLBCYP1A2
SCHEMBL4010263 0.79 DHPS (0.41) NAMPTPOLBCYP1A2DHPSMAPT
SCHEMBL8024898 0.78 MAPT (0.40) NAMPTPOLBCYP1A2MAPTALDH1A1
SCHEMBL8027574 0.77 NAMPT (0.39) NAMPTDHPSMAPTALDH1A1HPGD

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