SCHEMBL4538848

SCHEMBL4538848

O=C(NCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccnn1-c1ncc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 6/20 0.47
SCN1A P35498 2/20 0.44
SCN5A Q14524 2/20 0.44
SCN9A Q15858 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN8A Q9UQD0 2/20 0.44
SCN10A Q9Y5Y9 2/20 0.44
KCNH2 Q12809 1/20 0.44
ROCK2 O75116 1/20 0.41
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
KCNN4 O15554 1/20 0.38
P2RX7 Q99572 2/20 0.38
MEN1 O00255 1/20 0.37
PPARG P37231 1/20 0.37
KMT2A Q03164 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4538837 0.89 MAPK1 (0.46) SCN3AHPGDSMN1; SMN2MAPK1EGLN1
SCHEMBL4543756 0.84 MEN1 (0.53) SCN3ASCN1ASCN5ASCN9ASCN2A
SCHEMBL4540280 0.82 DGAT2 (0.44) KCNH2P2RX7MEN1PPARGKMT2A
SCHEMBL4540440 0.81 MAPK14 (0.48) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4541107 0.80 MEN1 (0.49) SCN5ASCN9AKCNH2MEN1PPARG
SCHEMBL4543760 0.80 PTGER4 (0.41) P2RX7MEN1PPARGKMT2ANR2E3
SCHEMBL4540761 0.80 PTGER4 (0.52) P2RX7SMN1; SMN2
SCHEMBL4543960 0.79 GRM5 (0.43) SCN9ASCN8ASCN10AMEN1PPARG
SCHEMBL4540559 0.77 MEN1 (0.51) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4540218 0.75 MEN1 (0.65) SCN3AMEN1PPARGKMT2ANR2E3

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