SCHEMBL7495479

SCHEMBL7495479

CCOC(=O)C1CCC(Nc2c(F)c(F)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c2F)C(C(=O)OCC)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
MRGPRX4 Q96LA9 3/20 0.34
SLC6A9 P48067 1/20 0.34
PTGER1 P34995 2/20 0.34
EGFR P00533 3/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7491414 0.91 AXL (0.37) MAPK8MAPK9NPC1PKMRAB9A
SCHEMBL7491250 0.91 PTGER1 (0.36) NPC1PKMRAB9AMAPTMRGPRX4
SCHEMBL7488481 0.89 MAPK8 (0.43) MAPK8MAPK9NPC1PKMRAB9A
SCHEMBL7490415 0.89 L3MBTL1 (0.37) MAPK8MAPK9NPC1PKMRAB9A
SCHEMBL7491345 0.84 MRGPRX4 (0.37) MAPK8MAPK9NPC1PKMRAB9A
SCHEMBL7485658 0.84 F2 (0.42) MAPK8MAPK9MAPTPTGER1EGFR
SCHEMBL7485494 0.84 TRPM8 (0.34) MAPK8MAPK9NPC1PKMRAB9A
SCHEMBL7415762 0.82 MAPT (0.38) MAPK8MAPK9NPC1PKMRAB9A
SCHEMBL7490133 0.82 MRGPRX4 (0.35) NPC1PKMRAB9AMAPTMRGPRX4
SCHEMBL7420284 0.81 MRGPRX4 (0.38) MRGPRX4SLC6A9PTGER1PPIA

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 5 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