SCHEMBL28384138

SCHEMBL28384138

[N-]=[N+]=NCCCCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.55
▸ MIF P14174 3/20 0.55
▸ SIGMAR1 Q99720 9/20 0.48
▸ MAOA P21397 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ MAOB P27338 2/20 0.45

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
SCHEMBL13698943 1.00 NAAA (0.55) NAAAMIFSIGMAR1MAOAMAPT
SCHEMBL26661891 1.00 NAAA (0.55) NAAAMIFSIGMAR1MAOAMAPT
SCHEMBL15994916 1.00 NAAA (0.55) NAAAMIFSIGMAR1MAOAMAPT
SCHEMBL15907593 0.98 MIF (0.53) NAAAMIFSIGMAR1MAOAHTR3A
SCHEMBL13526333 0.92 HTR3A (0.53) NAAAMIFSIGMAR1MAOAHTR3A
SCHEMBL16674489 0.87 ADRB2 (0.49) NAAAMIFMAOB
SCHEMBL13460499 0.83 HIF1A (0.48) MIFMAOAMAPTHTR3AMAOB
SCHEMBL15995452 0.82 MIF (0.38) NAAAMIFSIGMAR1MAOAHTR3A
SCHEMBL17414404 0.82 MIF (0.38) NAAAMIFSIGMAR1MAOAHTR3A
SCHEMBL9819738 0.81 NAAA (0.64) NAAAMIFSIGMAR1MAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111378138-A Combined energy absorption method and application thereof 翁秋梅 2020-07-07 — — CN disclosed
CN-111253610-A Dynamic polymer foam composite material 翁秋梅 2020-06-09 — — CN disclosed
CN-111040203-A Energy absorption method based on hybrid cross-linked dynamic polymer 翁秋梅 2020-04-21 — — CN disclosed
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