SCHEMBL6162781

SCHEMBL6162781

CCOC(=O)CSc1c(F)c(F)nc(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.46
ESR1 P03372 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL13752163 0.76 KDM4E (0.60) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL6164220 0.74 CA12 (0.52) PRNPMEN1KMT2AALDH1A1HSD17B10
SCHEMBL17015116 0.73 LMNA (0.54) PRNPALDH1A1HSD17B10KDM4EGAA
SCHEMBL5529983 0.72 ABCB1 (0.45) PRNPMEN1KMT2AALDH1A1HSD17B10
SCHEMBL6163264 0.70 ALDH1A1 (0.35) PRNPMEN1KMT2AALDH1A1HSD17B10
SCHEMBL13471437 0.70 ALDH1A1 (0.71) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL28468685 0.69 GAA (0.63) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL17085323 0.69 KDM4E (0.54) KMT2AALDH1A1HSD17B10KDM4EGAA
SCHEMBL6166121 0.69 MEN1 (0.46) MEN1KMT2AALDH1A1HSD17B10TSHR
SCHEMBL5799637 0.69 MAPK1 (0.41) MEN1KMT2AALDH1A1HSD17B10KDM4E

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