SCHEMBL4540440

SCHEMBL4540440

O=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccnn1-c1ncc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.48
CYP3A4 P08684 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PPARG P37231 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
PTGER4 P35408 2/20 0.42
PTGER2 P43116 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MAPK1 P28482 1/20 0.41
IDH1 O75874 1/20 0.40
CCR9 P51686 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RORC P51449 1/20 0.39
KDM1A O60341 1/20 0.38
HDAC1 Q13547 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
SCHEMBL4542986 0.94 MEN1 (0.49) MAPK14CYP3A4MEN1KMT2APPARG
SCHEMBL4543760 0.91 PTGER4 (0.41) MAPK14CYP3A4MEN1KMT2APPARG
SCHEMBL4543960 0.91 GRM5 (0.43) MAPK14CYP3A4MEN1KMT2APPARG
SCHEMBL4540761 0.90 PTGER4 (0.52) MAPK14CYP3A4PTGER4PTGER2SMN1; SMN2
SCHEMBL4543630 0.89 MEN1 (0.53) MAPK14CYP3A4MEN1KMT2APPARG
SCHEMBL4538837 0.88 MAPK1 (0.46) CYP3A4PTGER4MAPK1LMNASMN1; SMN2
SCHEMBL4541107 0.85 MEN1 (0.49) CYP3A4MEN1KMT2APPARGNR2E3
SCHEMBL4544058 0.84 MEN1 (0.59) MAPK14CYP3A4MEN1KMT2APPARG
SCHEMBL4540280 0.83 DGAT2 (0.44) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4540206 0.82 MAPK14 (0.48) MAPK14CYP3A4MEN1KMT2APPARG

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