SCHEMBL7417758

SCHEMBL7417758

CCOC(=O)C1CN(c2c(F)c(F)nc(F)c2F)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL7385653 0.72 MAPT (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL7380181 0.72 P2RX3 (0.36) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL7488669 0.72 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL7491259 0.72 MAPT (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL7496602 0.72 KCNH2 (0.34) ALDH1A1SMN1; SMN2MAPK1NPSR1TDP1
SCHEMBL7496506 0.72 MEN1 (0.33) KMT2AMEN1MAPT
SCHEMBL7384052 0.71 ALDH1A1 (0.32) ALDH1A1KDM4E
SCHEMBL7488471 0.70 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL7418818 0.70 KDM4E (0.30) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7488360 0.70 MAPT (0.34) ALDH1A1KMT2AMEN1KDM4EMAPT

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