SCHEMBL4541191

SCHEMBL4541191

O=C(NNc1ccc(Oc2ccccn2)cc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
PPARG P37231 1/20 0.60
NR2E3 Q9Y5X4 1/20 0.60
NCOR2 Q9Y618 1/20 0.60
MAPT P10636 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 2/20 0.40
ATM Q13315 1/20 0.40
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4543417 0.91 MAPT (0.62) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4536754 0.90 MAPT (0.64) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4543854 0.89 MAPT (0.62) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4543666 0.88 CYP1A2 (0.62) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL13707611 0.87 MAPT (0.61) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4539433 0.87 MAPT (0.61) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4543833 0.87 MAPT (0.56) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4539740 0.87 MAPT (0.58) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4542539 0.86 MAPT (0.64) KMT2AMEN1PPARGNR2E3NCOR2
SCHEMBL4542542 0.86 MAPT (0.64) 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 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