SCHEMBL4540254

SCHEMBL4540254

O=C(NCc1ccc(Oc2cnc(C(F)(F)F)nc2)cc1)c1nccn1-c1ncc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MAPK14 Q16539 3/20 0.38
CYP3A4 P08684 3/20 0.38
CNR2 P34972 3/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCR6 P51684 1/20 0.37
KLKB1 P03952 1/20 0.36

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
SCHEMBL4540206 0.91 MAPK14 (0.48) PTGER4PTGER2MEN1KMT2APPARG
SCHEMBL4538584 0.91 GRM5 (0.43) PTGER4PTGER2MEN1KMT2APPARG
SCHEMBL4538452 0.88 PTGER4 (0.52) PTGER4PTGER2MEN1KMT2AMAPK14
SCHEMBL4543878 0.86 MEN1 (0.53) PTGER4PTGER2MEN1KMT2APPARG
SCHEMBL4543760 0.83 PTGER4 (0.41) PTGER4PTGER2MEN1KMT2APPARG
SCHEMBL4544058 0.77 MEN1 (0.59) PTGER4PTGER2MEN1KMT2APPARG
SCHEMBL4538627 0.77 MEN1 (0.52) PTGER4PTGER2MEN1KMT2APPARG
SCHEMBL4543895 0.75 MEN1 (0.51) PTGER4PTGER2MEN1KMT2APPARG
SCHEMBL4542952 0.74 MEN1 (0.47) PTGER4PTGER2MEN1KMT2APPARG
SCHEMBL4542797 0.74 PTGER4 (0.52) PTGER4PTGER2MEN1KMT2APPARG

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