SCHEMBL16208277

SCHEMBL16208277

CCCCCNc1ncc([N+](=O)[O-])s1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.61
▸ ATG4B Q9Y4P1 8/20 0.58
▸ MAPK8 P45983 3/20 0.53
▸ MAPK9 P45984 3/20 0.53
▸ MEN1 O00255 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ RIPK1 Q13546 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ STAT3 P40763 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL17076650 0.80 ATG4B (0.51) LMNAATG4BMAPK8MAPK9MEN1
SCHEMBL18529277 0.80 ATG4B (0.54) LMNAATG4BMAPK8MAPK9MEN1
SCHEMBL1392634 0.78 LMNA (0.92) LMNAATG4BMEN1NPC1RAB9A
SCHEMBL1394642 0.77 ATG4B (0.85) LMNAATG4B
SCHEMBL4884971 0.77 LMNA (0.90) LMNAATG4BMEN1NPC1RAB9A
SCHEMBL7193648 0.76 ATG4B (0.52) LMNAATG4BMEN1NPC1RAB9A
SCHEMBL1395039 0.76 LMNA (1.00) LMNAATG4BMEN1NPC1RAB9A
SCHEMBL16535027 0.76 ATG4B (0.46) LMNAATG4BMEN1NPC1RAB9A
SCHEMBL13461165 0.74 NPC1 (0.54) LMNAATG4BMEN1NPC1RAB9A
SCHEMBL4733311 0.74 LMNA (0.51) LMNAATG4BMAPK8MAPK9MEN1

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
EP-2408770-B1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS Univ Virginia Patent Found (US) 2014-11-05 — — EP disclosed
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