SCHEMBL4539231

SCHEMBL4539231

O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cncn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PPARG P37231 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
RECQL P46063 2/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGER4 P35408 2/20 0.43
PTGER2 P43116 1/20 0.43
MAPK14 Q16539 2/20 0.43
NPC1 O15118 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
SCHEMBL4539972 0.88 MEN1 (0.65) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4542232 0.86 MEN1 (0.52) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4543630 0.84 MEN1 (0.53) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4543338 0.82 MEN1 (0.61) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4543901 0.82 MEN1 (0.61) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4544036 0.82 MEN1 (0.67) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4540634 0.82 CYP1A2 (0.63) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4542453 0.82 MEN1 (0.72) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4541206 0.81 MEN1 (0.69) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4541885 0.81 MEN1 (0.61) MEN1KMT2APPARGNR2E3NCOR2

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