SCHEMBL8699367

SCHEMBL8699367

Cc1cnc2c(S(=O)(=O)N(C(=O)CN)C(=O)C3CCCCN3)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
PARP1 P09874 1/20 0.38
MAPT P10636 3/20 0.37
PIK3CD O00329 1/20 0.36
SCN4A P35499 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SLC40A1 Q9NP59 3/20 0.34
TP53 P04637 2/20 0.34
SLC16A3 O15427 1/20 0.33
SYK P43405 1/20 0.33
KCNH2 Q12809 1/20 0.33
PSMD14 O00487 1/20 0.32
COPS5 Q92905 1/20 0.32
HTR7 P34969 1/20 0.31

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
SCHEMBL8695713 0.73 F2 (0.39) SCN4A
SCHEMBL8699376 0.69 HTR6 (0.43) HTR6PARP1MAPTALDH1A1GAA
SCHEMBL2997901 0.64 KDM4E (0.58) HTR6PARP1MAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL27862604 0.63 KDM4E (0.57) HTR6PARP1MAPTALDH1A1GAA
SCHEMBL1161161 0.62 KDM4E (0.54) HTR6PARP1MAPTGAAKDM4E
SCHEMBL29087025 0.62 KDM4E (0.48) HTR6PARP1MAPTGAAKDM4E
SCHEMBL7421672 0.61 TMEM97 (0.39) HTR6PARP1KDM4ESLC40A1SLC16A3
SCHEMBL8701232 0.61 ALDH1A1 (0.49) MAPTALDH1A1HTR7
SCHEMBL29087055 0.60 KDM4E (0.51) HTR6PARP1MAPTGAAKDM4E
SCHEMBL22305605 0.58 SCN4A (0.92) PIK3CDSCN4AALDH1A1

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
US-5741792-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5741799-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed