SCHEMBL7384052

SCHEMBL7384052

CCOC(=O)C1CSCN1c1c(F)c(F)nc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.31
NR1D1 P20393 1/20 0.30
PDK1 Q15118 1/20 0.30
ACE P12821 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL7488669 0.78 ALDH1A1 (0.40) ALDH1A1KDM4ETSHR
SCHEMBL7418818 0.75 KDM4E (0.30) ALDH1A1KDM4E
SCHEMBL7417758 0.71 ALDH1A1 (0.44) ALDH1A1KDM4E
SCHEMBL7496506 0.70 MEN1 (0.33)
SCHEMBL7496602 0.70 KCNH2 (0.34) ALDH1A1
SCHEMBL554194 0.66 MAPT (0.33) ALDH1A1ACE
SCHEMBL554193 0.66 MAPT (0.33) ALDH1A1KDM4EACE
SCHEMBL7051453 0.64 ALDH1A1 (0.41) ALDH1A1ACE
SCHEMBL7414641 0.63 CA1 (0.36) ALDH1A1PDK1
SCHEMBL9643825 0.63 KMT2A (0.43) ALDH1A1KDM4ETSHR

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