SCHEMBL6164956

SCHEMBL6164956

NC(CSc1c(F)c(F)nc(F)c1F)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.37
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRM4 Q14833 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC1A1 P43005 1/20 0.32

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
SCHEMBL17241886 0.85 KIF11 (0.41) KIF11ARG1ARG2CA12CA1
SCHEMBL17241888 0.85 KIF11 (0.41) KIF11ARG1ARG2CA12CA1
SCHEMBL6164198 0.83 BHMT (0.40) CA12CA1CA2CA7CA13
SCHEMBL6160855 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1158082 0.71 KIF11 (0.41) KIF11ARG1ARG2SLC1A1
SCHEMBL1158084 0.71 KIF11 (0.41) KIF11ARG1ARG2SLC1A1
SCHEMBL6161347 0.69 CA12 (0.56) CA12CA1CA2CA7CA13
Hydrochloric Acid SCHEMBL20482723 0.68 GRM8 (0.30) GRM8GRM6GRM4
SCHEMBL17236593 0.68 KIF11 (0.39) KIF11ARG1ARG2GRM8GRM6
SCHEMBL15700636 0.68 KIF11 (0.40) KIF11CA12CA1CA2CA7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934310-B1 THIO ACID DERIVED MONOCYCLIC N-HETEROCYCLICS AS ANTICOAGULANTS SCHERING AG (DE) 2005-02-09 EP disclosed
US-6221886-B1 Thio acid derived monocyclic N-heterocyclics as anticoagulants BERLEX LABORATORIES, INC. 2001-04-24 US disclosed
US-6166014-A Thio acid derived monocyclic N-heterocyclics as anticoagulants BERLEX LABORATORIES, INC. (US) 2000-12-26 US disclosed
US-6162807-A Thio acid derived monocyclic N-heterocyclics as anticoagulants BERLEX LABORATORIES, INC. (US) 2000-12-19 US disclosed
US-6150382-A ENZYME INHIBITORS OF BLOOD COAGULATION FACTOR XA, A SERINE PROTEASE CLASS OF ENZYMES; E.G., 4-HYDROXY-3-((4-(2-CARBOXY-METHYL)THIO-6-(3-(1-METHYL)-6-(3-(1 -METHYL)IMIDAZOLIN-2-YL)-PHENOXY-3,5-DIFLUOROPYRIDINE AND DERIVATIVES BERLEX LABORATORIES, INC. (US) 2000-11-21 US disclosed
US-6034084-A CARDIOVASCULAR DISORDERS BERLEX LABORATORIES, INC. (US) 2000-03-07 US disclosed
US-6004985-A BLOOD-COAGULATION FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. (US) 1999-12-21 US disclosed
EP-0934310-A1 THIO ACID DERIVED MONOCYCLIC $i(N)-HETEROCYCLICS AS ANTICOAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-08-11 EP disclosed
WO-1998015547-A1 THIO ACID DERIVED MONOCYCLIC N-HETEROCYCLICS AS ANTICOAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed