SCHEMBL4543010

SCHEMBL4543010

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.60
MAPT P10636 5/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
GAA P10253 10/20 0.56
KDM4E B2RXH2 2/20 0.56
POLB P06746 2/20 0.56
ALDH1A1 P00352 10/20 0.54
PPARG P37231 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
SORT1 Q99523 1/20 0.47
HTT P42858 7/20 0.47
NOD2 Q9HC29 1/20 0.47
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL13707576 0.94 SMN1; SMN2 (0.58) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4539551 0.93 SMN1; SMN2 (0.60) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4539405 0.93 CYP1A2 (0.64) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4540568 0.92 MAPT (0.59) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4541459 0.92 SMN1; SMN2 (0.56) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4539911 0.92 SMN1; SMN2 (0.56) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4543847 0.92 SMN1; SMN2 (0.60) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4543827 0.92 SMN1; SMN2 (0.63) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4539879 0.90 SMN1; SMN2 (0.53) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4542435 0.90 SMN1; SMN2 (0.53) SMN1; SMN2MAPTNPSR1MEN1KMT2A

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