SCHEMBL7074137

SCHEMBL7074137

Cc1cc(C(=N)N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.62
KMT2A Q03164 2/20 0.59
ATM Q13315 1/20 0.59
ALDH1A1 P00352 4/20 0.57
PLG P00747 3/20 0.56
PKM P14618 7/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 2/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.53
RAB9A P51151 1/20 0.53
HTT P42858 1/20 0.52

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 SCHEMBL27530030 0.97 F10 (0.59) F10KMT2AATMALDH1A1PLG
SCHEMBL7076717 0.90 F10 (0.60) F10KMT2A
Acetic Acid SCHEMBL27525139 0.88 F10 (0.57) F10KMT2A
SCHEMBL5735860 0.87 F10 (0.80) F10KMT2AATMALDH1A1PLG
Acetic Acid SCHEMBL28744428 0.85 F10 (0.74) F10KMT2AATMALDH1A1PKM
SCHEMBL7074277 0.85 F10 (0.67) F10KMT2AATMALDH1A1PLG
SCHEMBL5735399 0.84 KMT2A (0.62) F10KMT2AATMALDH1A1PKM
Acetic Acid SCHEMBL27550441 0.84 F10 (0.62) F10KMT2AATMALDH1A1PLG
SCHEMBL7074873 0.81 LMNA (0.48) F10KMT2AALDH1A1PLGSMN1; SMN2
Acetic Acid SCHEMBL27550401 0.79 LMNA (0.46) F10KMT2AALDH1A1PLGPKM

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 4 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
EP-1025086-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2000-08-09 EP disclosed
WO-1999016751-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 1999-04-08 WO disclosed