SCHEMBL4014250

SCHEMBL4014250

COc1nc(-c2ccc(Cl)cc2)nc(C(C)C)c1OC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.41
DHPS P49366 2/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TYMP P19971 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CTSA P10619 1/20 0.34

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
SCHEMBL4015164 0.89 ATM (0.52) MEN1KMT2AATMHPGDTSHR
SCHEMBL4008512 0.87 MAPT (0.42) MEN1KMT2AATMDHPSGAA
SCHEMBL4008889 0.85 DHPS (0.41) ATMDHPSGAAHPGDNPSR1
SCHEMBL4007805 0.83 CNR1 (0.41) ATMTSHRNPSR1SMN1; SMN2ALDH1A1
SCHEMBL4007963 0.82 CNR1 (0.42) ATM
SCHEMBL4014246 0.82 MEN1 (0.46) MEN1KMT2AATMDHPSGAA
SCHEMBL4011472 0.81 MAPT (0.39) MEN1KMT2AATMHPGDTSHR
SCHEMBL4016764 0.75 ATM (0.53) MEN1KMT2AATMGAAHPGD
SCHEMBL8024769 0.75 MAPT (0.45) MEN1KMT2AGAAHPGDTSHR
SCHEMBL4010260 0.75 ATM (0.45) ATMGAAHPGDTSHRNPSR1

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