SCHEMBL8034649

SCHEMBL8034649

CC(C)COc1nc(-c2ccc(Cl)cc2)nc(CC(C)C)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.40
ATM Q13315 1/20 0.39
NAMPT P43490 1/20 0.39
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
PTGER1 P34995 1/20 0.38
DPP4 P27487 3/20 0.38
DPP8 Q6V1X1 3/20 0.38
XDH P47989 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
DPP9 Q86TI2 2/20 0.37
SCN5A Q14524 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
SCHEMBL8024898 0.91 MAPT (0.40) ATMNAMPTHPGDMEN1ALDH1A1
SCHEMBL8036259 0.89 NR1H4 (0.39) NR1H4ATMNAMPTALDH1A1LMNA
SCHEMBL8027574 0.88 NAMPT (0.39) ATMNAMPTHPGDMEN1ALDH1A1
SCHEMBL8031087 0.87 ATM (0.51) ATMNAMPTHPGDMEN1ALDH1A1
SCHEMBL4009392 0.86 CNR1 (0.40) ATMNAMPTDPP4
SCHEMBL8031033 0.86 KDM4E (0.48) NR1H4ATMHPGDMEN1ALDH1A1
SCHEMBL4007857 0.82 FABP3 (0.45) NAMPTHPGDMEN1ALDH1A1KMT2A
SCHEMBL4009791 0.81 FABP4 (0.41) NR1H4ATMNAMPTHPGDPTGER1
SCHEMBL8024878 0.80 NAMPT (0.40) NAMPTHPGDMEN1ALDH1A1KMT2A
SCHEMBL8037630 0.78 NAMPT (0.40) ATMNAMPTHPGDMEN1ALDH1A1

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