SCHEMBL4544012

SCHEMBL4544012

O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1cccn1-c1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
NPSR1 Q6W5P4 2/20 0.58
SMN1; SMN2 Q16637 8/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 11/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 11/20 0.48
PPARG P37231 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
HTT P42858 7/20 0.43
NOD2 Q9HC29 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 4/20 0.41

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
SCHEMBL4540568 0.93 MAPT (0.59) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4539551 0.92 SMN1; SMN2 (0.60) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4543798 0.91 SMN1; SMN2 (0.59) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4539240 0.89 SMN1; SMN2 (0.57) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4542254 0.89 SMN1; SMN2 (0.61) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4543636 0.89 MAPT (0.55) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4541459 0.87 SMN1; SMN2 (0.56) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4543629 0.87 SMN1; SMN2 (0.54) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4541199 0.87 SMN1; SMN2 (0.54) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4543010 0.87 SMN1; SMN2 (0.60) MAPTNPSR1SMN1; SMN2MEN1KMT2A

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