SCHEMBL4541107

SCHEMBL4541107

O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccnn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PPARG P37231 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.45
PDE2A O00408 1/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
RECQL P46063 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRB2 P07550 1/20 0.43
MAPT P10636 2/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL4542986 0.91 MEN1 (0.49) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4538837 0.91 MAPK1 (0.46) SMN1; SMN2MAPK1PDE2AEPHX2NR1H4
SCHEMBL4543630 0.89 MEN1 (0.53) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4540440 0.85 MAPK14 (0.48) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4544004 0.84 MEN1 (0.67) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4540559 0.80 MEN1 (0.51) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4538848 0.80 SCN3A (0.47) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4543760 0.80 PTGER4 (0.41) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4543960 0.79 GRM5 (0.43) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4539918 0.78 MAPT (0.49) MEN1KMT2ASMN1; SMN2MAPK1CYP2C19

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