SCHEMBL4539883

SCHEMBL4539883

CS(=O)(=O)c1ccc(CCn2cccc2C(=O)NNc2ncc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 8/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 9/20 0.45
TDP1 Q9NUW8 3/20 0.41
HTT P42858 4/20 0.40
AGTR1 P30556 3/20 0.40
LMNA P02545 3/20 0.40
ALOX12 P18054 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOD2 Q9HC29 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL4542500 0.90 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AMAPTNPSR1
SCHEMBL4542493 0.82 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2AMAPTNPSR1
SCHEMBL4542858 0.80 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AMAPTNPSR1
SCHEMBL4537567 0.80 MAPT (0.59) SMN1; SMN2MEN1KMT2AMAPTNPSR1
SCHEMBL4543922 0.79 MAPT (0.51) SMN1; SMN2MEN1KMT2AMAPTNPSR1
SCHEMBL4542179 0.79 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2AMAPTNPSR1
SCHEMBL4537581 0.75 MAPT (0.62) SMN1; SMN2MEN1KMT2AMAPTNPSR1
SCHEMBL13707559 0.73 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AMAPTNPSR1
SCHEMBL4542470 0.73 MAPT (0.66) SMN1; SMN2MEN1KMT2AMAPTNPSR1
SCHEMBL4543628 0.73 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AMAPTNPSR1

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