SCHEMBL4539733

SCHEMBL4539733

O=C(NCc1ccc(Oc2ccc(F)c(Cl)c2)cn1)c1cccn1-c1ncc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CDK8 P49336 1/20 0.39
NPC1 O15118 2/20 0.36
HIF1A Q16665 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NTRK1 P04629 1/20 0.35
HTR1A P08908 1/20 0.35
HPGD P15428 1/20 0.34
PTGER4 P35408 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
SCHEMBL4543995 0.92 MEN1 (0.54) PPARGMEN1KMT2ANR2E3NCOR2
SCHEMBL4544090 0.91 MEN1 (0.68) PPARGMEN1KMT2ANR2E3NCOR2
SCHEMBL4541717 0.91 MEN1 (0.56) PPARGMEN1KMT2ANR2E3NCOR2
SCHEMBL4536923 0.89 PPARG (0.49) PPARGMEN1KMT2ANR2E3NCOR2
SCHEMBL4543112 0.84 MEN1 (0.66) PPARGMEN1KMT2ANR2E3NCOR2
SCHEMBL4542935 0.84 PPARG (0.49) PPARGMEN1KMT2ANR2E3NCOR2
SCHEMBL4543824 0.83 MEN1 (0.48) PPARGMEN1KMT2ANR2E3NCOR2
SCHEMBL4542997 0.82 MEN1 (0.49) PPARGMEN1KMT2ANR2E3NCOR2
SCHEMBL4542409 0.82 MEN1 (0.70) PPARGMEN1KMT2ANR2E3NCOR2
SCHEMBL4542797 0.82 PTGER4 (0.52) PPARGMEN1KMT2ANR2E3NCOR2

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