SCHEMBL4537144

SCHEMBL4537144

CC(NCc1ccc(OC(F)(F)F)cc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
MAPT P10636 6/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL13707840 0.84 MEN1 (0.49) PKMMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4543789 0.84 PKM (0.45) PKMMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4542449 0.81 ALDH1A1 (0.47) PKMMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4544004 0.78 MEN1 (0.67) PKMMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4540506 0.76 MAPT (0.50) PKMMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4537558 0.75 MAPT (0.56) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL4536705 0.75 ALDH1A1 (0.57) PKMMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4539248 0.72 MAPT (0.54) PKMMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4541955 0.71 MEN1 (0.67) PKMMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4542177 0.71 MAPT (0.58) PKMMAPTALDH1A1SMN1; SMN2MEN1

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