SCHEMBL6590805

SCHEMBL6590805

O=C(O)c1scc(CN2CCSCC2)c1Cl.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.52
CYP2A13 Q16696 1/20 0.44
F2 P00734 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL27470745 0.86 F10 (0.52) F10CYP2A13F2KDM4EPOLB
SCHEMBL6590808 0.84 F10 (0.51) F10CYP2A13F2L3MBTL1LMNA
SCHEMBL6600222 0.84 F10 (0.53) F10CYP2A13F2KDM4EPOLB
SCHEMBL6601695 0.83 F10 (0.53) F10F2SMN1; SMN2ADORA1KDM4E
SCHEMBL6595675 0.82 F10 (0.52) F10CYP2A13F2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6590659 0.82 F10 (0.53) F10F2SMN1; SMN2ADORA1KDM4E
SCHEMBL4078686 0.71 GPR35 (0.42) L3MBTL1KDM4EALDH1A1POLB
SCHEMBL6596838 0.71 GPR35 (0.42) L3MBTL1KDM4EPOLB
SCHEMBL6594051 0.70 F10 (0.51) F10CYP2A13F2SMN1; SMN2
SCHEMBL6592233 0.69 F10 (0.54) F10F2LMNAADORA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040108-B1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AG (DE) 2004-02-25 EP disclosed
US-6498185-B1 ENZYME FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2002-12-24 US disclosed
US-6380221-B1 FOR THERAPY OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY BERLEX LABORATORIES, INC. 2002-04-30 US disclosed
US-6140351-A FOR TREATING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-10-31 US disclosed
EP-1040108-A1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-10-04 EP disclosed
WO-1999032477-A1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-01 WO disclosed