SCHEMBL4540644

SCHEMBL4540644

Nc1ccc(-n2cccc2C(=O)O)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
APEX1 P27695 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 3/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
LDHA P00338 1/20 0.36
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 1/20 0.34
CFTR P13569 1/20 0.33
RAB9A P51151 1/20 0.33
TTR P02766 1/20 0.32
NR1H2 P55055 1/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32

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
SCHEMBL4544013 0.84 LDHA (0.40) POLBL3MBTL1GAAGLATSHR
SCHEMBL4540121 0.80 TDP1 (0.43) POLBTDP1APEX1L3MBTL1LDHA
SCHEMBL4538950 0.80 POLB (0.43) POLBTDP1APEX1L3MBTL1KMT2A
SCHEMBL4540738 0.78 L3MBTL1 (0.42) POLBTDP1APEX1L3MBTL1MAPT
SCHEMBL4539354 0.75 KMO (0.45) POLBTDP1APEX1L3MBTL1GAA
SCHEMBL8721284 0.75 GRIA1 (0.57) POLBTDP1APEX1L3MBTL1
SCHEMBL4540603 0.74 POLB (0.38) POLBTDP1APEX1L3MBTL1LDHA
SCHEMBL4542152 0.73 CNR2 (0.44) POLBMAPTTP53CYP3A4
SCHEMBL4540416 0.72 POLB (0.47) POLBTDP1APEX1L3MBTL1MAPT
SCHEMBL4542122 0.72 CYP1A2 (0.47) POLBTDP1APEX1L3MBTL1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed