SCHEMBL3817544

SCHEMBL3817544

CS(=O)(=O)[C]=NNc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 5/20 0.48
GAA P10253 4/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
CYP3A4 P08684 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CISD1 Q9NZ45 1/20 0.47
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3817543 1.00 MAPT (0.48) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL1995568 0.75 MAPT (0.57) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL1995570 0.75 MAPT (0.57) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL2317675 0.73 PTGS1 (0.57) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL28115197 0.72 MAPT (0.53) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL28115196 0.72 MAPT (0.53) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL30360229 0.70 MAPT (0.55) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL15515688 0.69 MAPT (0.53) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL23928529 0.68 MAPT (0.64) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL27574325 0.67 KMT2A (0.57) MAPTSMN1; SMN2LMNAMEN1KMT2A

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
EP-2105436-A1 Lactam-containing compounds and derivatives thereof as factor XA inhibitors Bristol-Myers Squibb Company (US) 2009-09-30 EP disclosed
EP-1427415-B1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-08-12 EP disclosed