SCHEMBL7073997

SCHEMBL7073997

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.61
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 3/20 0.54
ALOX15 P16050 1/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 1/20 0.53
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51
TRPV4 Q9HBA0 1/20 0.51
GPR183 P32249 1/20 0.50

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 SCHEMBL27552343 0.97 F10 (0.58) F10ALDH1A1MEN1HTTKMT2A
SCHEMBL751828 0.91 ALDH1A1 (0.66) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL7073647 0.89 F10 (0.57) F10MEN1HTTKMT2ASMN1; SMN2
SCHEMBL7071822 0.88 F10 (0.61) F10ALDH1A1MEN1KMT2AHPGD
SCHEMBL7076666 0.86 LMNA (0.72) F10ALDH1A1MEN1KMT2ALMNA
SCHEMBL752323 0.86 LMNA (0.72) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL751716 0.86 LMNA (0.72) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
Acetic Acid SCHEMBL27550450 0.86 F10 (0.57) F10ALDH1A1MEN1KMT2AHPGD
SCHEMBL735124 0.85 LMNA (0.66) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL7074494 0.85 F10 (0.66) F10MEN1KMT2ALMNAMAPT

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