SCHEMBL4564992

SCHEMBL4564992

O=C(NCC1CCN(C(=O)O)C1)c1cccn1-c1ncc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SPR P35270 3/20 0.39
USP30 Q70CQ3 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CACNA1I Q9P0X4 3/20 0.38
KCNH2 Q12809 1/20 0.37
CHRM4 P08173 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL4565515 0.94 KMT2A (0.44) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4565788 0.92 KMT2A (0.46) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL13707722 0.87 KDM4E (0.48) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4565345 0.84 KMT2A (0.45) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL13707674 0.84 KMT2A (0.46) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4542156 0.83 KMT2A (0.48) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4569705 0.83 KDM4E (0.54) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4565632 0.83 MEN1 (0.60) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4540327 0.83 CHRM1 (0.47) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4543488 0.83 MEN1 (0.45) KMT2AMEN1CYP1A2CYP3A4CYP2C9

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