SCHEMBL7074838

SCHEMBL7074838

CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C(=N)N)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.54
LMNA P02545 6/20 0.52
MMP2 P08253 1/20 0.51
MMP13 P45452 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 2/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
Acetic Acid SCHEMBL27550443 0.96 LMNA (0.52) F10LMNAMMP2MMP13SMN1; SMN2
SCHEMBL7071342 0.84 CNR1 (0.57) F10LMNAMMP2MMP13TSHR
Acetic Acid SCHEMBL27538655 0.83 CNR1 (0.53) F10LMNAMMP2MMP13SMN1; SMN2
SCHEMBL7074220 0.82 LMNA (0.71) F10LMNAGAACASP6ALDH1A1
SCHEMBL7074302 0.82 F10 (0.53) F10LMNAMMP2MMP13SMN1; SMN2
SCHEMBL7070294 0.82 GAA (0.56) F10LMNASMN1; SMN2TSHRGAA
Acetic Acid SCHEMBL28744327 0.81 LMNA (0.70) F10LMNASMN1; SMN2GAACASP6
Acetic Acid SCHEMBL27550418 0.81 F10 (0.49) F10LMNAMMP2MMP13SMN1; SMN2
SCHEMBL7075112 0.79 KMT2A (0.59) F10LMNAMMP2MMP13SMN1; SMN2
Acetic Acid SCHEMBL27568113 0.78 GAA (0.56) F10LMNASMN1; SMN2TSHRGAA

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