SCHEMBL8488658

SCHEMBL8488658

CNC(=O)C(CN(C(=O)C1CCNCC1)c1ccncc1)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.50
CTSS P25774 1/20 0.42
PKM P14618 1/20 0.40
PLAU P00749 2/20 0.40
F10 P00742 2/20 0.40
IDO1 P14902 1/20 0.39
KAT6A Q92794 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
F2 P00734 3/20 0.37
ITGB3 P05106 1/20 0.37

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
SCHEMBL7398649 0.91 ITGB3 (0.43) PLATCTSSPKMPLAUF10
SCHEMBL7408339 0.89 PLAT (0.42) PLATCTSSPKMPLAUF10
SCHEMBL1387237 0.86 F2 (0.43) PLAUF10F2ITGB3ITGA2B
SCHEMBL1387213 0.86 PLAT (0.42) PLATCTSSPKMPLAUF10
SCHEMBL7402857 0.85 F10 (0.43) PKMPLAUF10F2ITGB3
SCHEMBL7403220 0.84 PKM (0.51) CTSSPKMF10IDO1KAT6A
SCHEMBL7395471 0.82 F2 (0.43) PLAUF10F2ITGB3ITGA2B
SCHEMBL1387418 0.81 ITGB3 (0.43) PLATPLAUF10F2ITGB3
SCHEMBL7408433 0.81 PLAT (0.41) PLATCTSSPKMPLAUF10
SCHEMBL7397980 0.78 F2 (0.50) PLAUF10F2ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed