SCHEMBL4539682

SCHEMBL4539682

Cc1cc(CNC(=O)c2cccn2-c2ncc(Cl)cc2Cl)ccc1Oc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
MEN1 O00255 1/20 0.45
PPARG P37231 1/20 0.45
KMT2A Q03164 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
PTGER4 P35408 4/20 0.45
PTGER2 P43116 2/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CNR2 P34972 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
P2RY12 Q9H244 1/20 0.38
DDR2 Q16832 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL4541439 0.93 MEN1 (0.47) CARM1PRMT6MEN1PPARGKMT2A
SCHEMBL4537632 0.91 MEN1 (0.58) CARM1PRMT6MEN1PPARGKMT2A
SCHEMBL4542797 0.90 PTGER4 (0.52) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4539824 0.89 MEN1 (0.47) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4543969 0.88 CYP1A2 (0.49) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL13707612 0.86 PTGER4 (0.51) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4543759 0.86 PPARG (0.47) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4543653 0.86 MEN1 (0.47) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4537613 0.85 MEN1 (0.48) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4543974 0.85 PPARG (0.46) MEN1PPARGKMT2ANR2E3NCOR2

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