SCHEMBL7073647

SCHEMBL7073647

CCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.57
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CASP6 P55212 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 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
SCHEMBL7073997 0.89 F10 (0.61) F10LMNAMAPTMAPK1L3MBTL1
Acetic Acid SCHEMBL27552343 0.86 F10 (0.58) F10LMNAMAPTMAPK1L3MBTL1
SCHEMBL7074608 0.84 F10 (0.61) F10LMNAMAPTMAPK1L3MBTL1
SCHEMBL7071822 0.84 F10 (0.61) F10LMNAMAPTMAPK1L3MBTL1
SCHEMBL7076666 0.83 LMNA (0.72) F10LMNAMAPTMAPK1L3MBTL1
Acetic Acid SCHEMBL27550450 0.83 F10 (0.57) F10LMNAMAPTMAPK1L3MBTL1
SCHEMBL7071611 0.82 F10 (0.59) F10LMNAMAPTMAPK1L3MBTL1
Acetic Acid SCHEMBL27574150 0.81 F10 (0.58) F10LMNAMAPTMAPK1L3MBTL1
SCHEMBL7074494 0.81 F10 (0.66) F10LMNAMAPTMAPK1L3MBTL1
SCHEMBL7074251 0.80 LMNA (0.66) F10LMNAMAPTMAPK1L3MBTL1

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