SCHEMBL4539879

SCHEMBL4539879

N#Cc1ccc(-n2cccc2C(=O)NNc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.53
MAPT P10636 5/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GAA P10253 11/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 11/20 0.47
PPARG P37231 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
HTT P42858 7/20 0.42
NOD2 Q9HC29 1/20 0.42
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
SCHEMBL4543010 0.90 SMN1; SMN2 (0.60) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL13707576 0.88 SMN1; SMN2 (0.58) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4539405 0.87 CYP1A2 (0.64) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4540787 0.86 SMN1; SMN2 (0.54) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4539911 0.86 SMN1; SMN2 (0.56) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4540568 0.86 MAPT (0.59) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4543847 0.86 SMN1; SMN2 (0.60) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4543827 0.86 SMN1; SMN2 (0.63) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL13707755 0.84 CYP1A2 (0.60) SMN1; SMN2MAPTNPSR1MEN1KMT2A
SCHEMBL4542435 0.84 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 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