SCHEMBL6166121

SCHEMBL6166121

COC(=O)CCCSc1c(F)c(F)nc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 4/20 0.42
MAPK14 Q16539 1/20 0.42
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
PKM P14618 1/20 0.35
GBA1 P04062 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6162575 0.90 CXCR1 (0.40) MEN1KMT2ATSHRMAPK14ALDH1A1
SCHEMBL6161347 0.73 CA12 (0.56) KMT2ATSHRALDH1A1LMNAHSD17B10
SCHEMBL12471098 0.70 RAB9A (0.57) MEN1KMT2ATSHRMAPK14ALDH1A1
SCHEMBL13471446 0.70 MAPT (0.42) MEN1KMT2ATSHRALDH1A1RAB9A
SCHEMBL2585487 0.67 TSHR (0.67) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL14353413 0.67 TSHR (0.67) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL11218066 0.66 ALDH1A1 (0.66) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL20545474 0.66 RAB9A (0.52) MEN1KMT2ATSHRMAPK14ALDH1A1
SCHEMBL628936 0.66
SCHEMBL18154877 0.65 KMT2A (0.47) MEN1KMT2ATSHRALDH1A1LMNA

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