SCHEMBL7418818

SCHEMBL7418818

CCOC(=O)C1N(c2c(F)c(F)nc(F)c2F)CSC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7384052 0.75 ALDH1A1 (0.32) KDM4EALDH1A1
SCHEMBL7488669 0.71 ALDH1A1 (0.40) KDM4EALDH1A1
SCHEMBL7417758 0.70 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7496506 0.68 MEN1 (0.33)
SCHEMBL7496602 0.68 KCNH2 (0.34) ALDH1A1
SCHEMBL7414641 0.62 CA1 (0.36) ALDH1A1
SCHEMBL7488360 0.61 MAPT (0.34) KDM4EALDH1A1
SCHEMBL7380181 0.61 P2RX3 (0.36) KDM4EALDH1A1
SCHEMBL7385653 0.61 MAPT (0.39) KDM4EALDH1A1
SCHEMBL7488471 0.59 ALDH1A1 (0.46) KDM4EALDH1A1GAAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929547-B1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AG (DE) 2002-11-27 EP disclosed
US-6265404-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-07-24 US disclosed
US-6232325-B1 THROMBOSIS THERAPY BERLEX LABORATORIES, INC. 2001-05-15 US disclosed
US-6177473-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-01-23 US disclosed
US-6008234-A TREATING A HUMAN HAVING A DISEASE-STATE CHARACTERIZED BY THROMBOTIC ACTIVITY, INHIBITING HUMAN BLOOD COAGULATION FACTOR XA BERLEX LABORATORIES, INC. (US) 1999-12-28 US disclosed
EP-0929547-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998011094-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-19 WO disclosed