SCHEMBL4565788

SCHEMBL4565788

O=C(NCC1CN(C(=O)O)C1)c1cccn1-c1ncc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PPARG P37231 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CACNA1I Q9P0X4 3/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CNR2 P34972 2/20 0.35
PAK1 Q13153 2/20 0.35
KCNH2 Q12809 2/20 0.34
MDM2 Q00987 1/20 0.34
CHRM4 P08173 1/20 0.34
CXCR3 P49682 1/20 0.34

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
SCHEMBL4564992 0.92 KMT2A (0.43) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4565515 0.90 KMT2A (0.44) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL13707674 0.89 KMT2A (0.46) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4542156 0.87 KMT2A (0.48) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4565345 0.85 KMT2A (0.45) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4540327 0.84 CHRM1 (0.47) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4543903 0.82 KMT2A (0.44) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL13707722 0.81 KDM4E (0.48) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4569741 0.81 KMT2A (0.42) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4569705 0.79 KDM4E (0.54) KMT2AMEN1PPARGNR2E3NCOR2

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