SCHEMBL7400819

SCHEMBL7400819

Nc1nccc(N(CCNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)C2CCNCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
TPSAB1 Q15661 1/20 0.45
CTSS P25774 1/20 0.43
F2 P00734 3/20 0.41
F10 P00742 1/20 0.40
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
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KAT6A Q92794 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL7400505 0.88 PKM (0.45) PKMTPSAB1CTSSF2F10
SCHEMBL7403220 0.85 PKM (0.51) PKMTPSAB1CTSSF2F10
SCHEMBL6787195 0.77 CTSS (0.56) PKMTPSAB1CTSSF2F10
Hydrochloric Acid SCHEMBL6786751 0.76 CTSS (0.55) PKMTPSAB1CTSSF2F10
SCHEMBL8484907 0.75 ACACB (0.50) PKMTPSAB1CTSSF2F10
SCHEMBL6787124 0.74 PKM (0.51) PKMTPSAB1CTSSF2F10
SCHEMBL7398649 0.73 ITGB3 (0.43) PKMTPSAB1CTSSF2F10
SCHEMBL8488658 0.71 PLAT (0.50) PKMTPSAB1CTSSF2F10
SCHEMBL7408339 0.70 PLAT (0.42) PKMCTSSF10HDAC3HDAC4
SCHEMBL1387213 0.70 PLAT (0.42) PKMTPSAB1CTSSF2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 WO disclosed