SCHEMBL4540168

SCHEMBL4540168

O=C(NCc1ccc(Br)cc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.74
NPSR1 Q6W5P4 1/20 0.74
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
PPARG P37231 1/20 0.70
NR2E3 Q9Y5X4 1/20 0.70
NCOR2 Q9Y618 1/20 0.70
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
RECQL P46063 1/20 0.50
PKM P14618 2/20 0.48
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4537928 0.93 MEN1 (0.74) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4542453 0.91 MEN1 (0.72) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4538819 0.91 MEN1 (0.68) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4537140 0.90 MEN1 (0.70) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4540538 0.90 MEN1 (0.70) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4542577 0.90 MEN1 (0.70) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4537547 0.90 MEN1 (0.69) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4542498 0.89 MEN1 (0.72) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4538498 0.89 MEN1 (0.75) MAPTNPSR1MEN1KMT2APPARG
SCHEMBL4543906 0.89 MEN1 (0.68) MAPTNPSR1MEN1KMT2APPARG

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