SCHEMBL4539716

SCHEMBL4539716

O=C(NNc1ccc2ccccc2n1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
PPARG P37231 1/20 0.60
NR2E3 Q9Y5X4 1/20 0.60
NCOR2 Q9Y618 1/20 0.60
MAPT P10636 5/20 0.58
NPSR1 Q6W5P4 3/20 0.58
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALDH1A1 P00352 3/20 0.46
RPS6KA3 P51812 1/20 0.45
RECQL P46063 1/20 0.44
HPGD P15428 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 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
SCHEMBL4537029 0.87 MAPT (0.63) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL13707614 0.85 MEN1 (0.72) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL13707592 0.84 MAPT (0.67) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4543841 0.83 CYP1A2 (0.64) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4542470 0.83 MAPT (0.66) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4544052 0.83 MAPT (0.66) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL13707735 0.83 CYP1A2 (0.59) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4543964 0.82 MAPT (0.70) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4543904 0.81 CYP1A2 (0.67) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4539419 0.81 CYP1A2 (0.62) 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 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