SCHEMBL8024898

SCHEMBL8024898

CCOc1nc(-c2ccc(Cl)cc2)nc(CC(C)C)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.39
SELPLG Q14242 1/20 0.39
NAMPT P43490 1/20 0.39
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
DPP4 P27487 3/20 0.38
DPP8 Q6V1X1 3/20 0.38
RAB9A P51151 2/20 0.37
DPP9 Q86TI2 2/20 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
SCHEMBL8034649 0.91 NR1H4 (0.40) MAPTALDH1A1LMNATDP1CYP1A2
SCHEMBL8024878 0.89 NAMPT (0.40) MAPTALDH1A1LMNATDP1CYP1A2
SCHEMBL8027574 0.88 NAMPT (0.39) MAPTALDH1A1LMNATDP1ATM
SCHEMBL8031087 0.87 ATM (0.51) MAPTALDH1A1LMNATDP1ATM
SCHEMBL4009392 0.86 CNR1 (0.40) ATMNAMPTDPP4
SCHEMBL4007701 0.86 CTRC (0.41) MAPTALDH1A1TDP1CYP1A2POLB
SCHEMBL4007857 0.84 FABP3 (0.45) MAPTALDH1A1LMNATDP1CYP1A2
SCHEMBL4008510 0.83 FABP3 (0.43) MAPTALDH1A1LMNATDP1CYP1A2
SCHEMBL8036259 0.82 NR1H4 (0.39) MAPTALDH1A1LMNATDP1CYP1A2
SCHEMBL8021765 0.82 KDM4E (0.51) MAPTALDH1A1LMNATDP1CYP1A2

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