SCHEMBL8031087

SCHEMBL8031087

CC(C)Cc1nc(-c2ccc(Cl)cc2)nc(OC(C)C)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
DPP4 P27487 3/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 2/20 0.38
NAMPT P43490 1/20 0.37
RORC P51449 1/20 0.37
CTRC Q99895 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL8031508 0.88 ATM (0.46) ATMHPGDMEN1ALDH1A1KMT2A
SCHEMBL8034649 0.87 NR1H4 (0.40) ATMHPGDMEN1ALDH1A1KMT2A
SCHEMBL8024898 0.87 MAPT (0.40) ATMHPGDMEN1ALDH1A1KMT2A
SCHEMBL4009392 0.85 CNR1 (0.40) ATMDPP4NAMPT
SCHEMBL8027574 0.84 NAMPT (0.39) ATMHPGDMEN1ALDH1A1KMT2A
SCHEMBL4016761 0.83 ATM (0.55) ATMHPGDMEN1ALDH1A1KMT2A
SCHEMBL4007857 0.83 FABP3 (0.45) HPGDMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4015161 0.81 ATM (0.54) ATMHPGDMEN1ALDH1A1KMT2A
SCHEMBL4010086 0.81 ATM (0.46) ATMHPGDMEN1ALDH1A1KMT2A
SCHEMBL8023453 0.80 RXRA (0.43) HPGDMEN1ALDH1A1KMT2ASMN1; SMN2

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