SCHEMBL7069792

SCHEMBL7069792

CC(C)S(=O)(=O)N1CCN(C(=O)c2ccc(C(=N)N)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ITGB3 P05106 4/20 0.45
ITGA2B P08514 4/20 0.45
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA7 P43166 5/20 0.43
CA9 Q16790 5/20 0.43
CA14 Q9ULX7 5/20 0.43
KDM1A O60341 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7070294 0.84 GAA (0.56) F10SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7074652 0.83 F2 (0.54) SMN1; SMN2MEN1KMT2ATSHRALDH1A1
Acetic Acid SCHEMBL27568113 0.81 GAA (0.56) F10SMN1; SMN2LMNATSHRALDH1A1
SCHEMBL7126859 0.80 ALDH1A1 (0.62) F10SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7076666 0.77 LMNA (0.72) F10MEN1KMT2ALMNAALDH1A1
Acetic Acid SCHEMBL27525154 0.77 ALDH1A1 (0.59) F10SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7074220 0.77 LMNA (0.71) F10MEN1KMT2ALMNAALDH1A1
Acetic Acid SCHEMBL28744327 0.76 LMNA (0.70) F10SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7074494 0.76 F10 (0.66) F10MEN1KMT2ALMNACA12
SCHEMBL7071435 0.76 KMT2A (0.64) F10MEN1KMT2ALMNAALDH1A1

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-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed