SCHEMBL6243035

SCHEMBL6243035

C/C(C=O)=C\C(C)=C\c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ FBP1 P09467 2/20 0.51
▸ MAPK1 P28482 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ APP P05067 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAOB P27338 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ PTGS2 P35354 2/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL6243038 1.00 MEN1 (0.55) MEN1KMT2AFBP1MAPK1ALDH1A1
SCHEMBL3232414 0.91 FBP1 (0.56) MEN1KMT2AFBP1MAPK1ALDH1A1
SCHEMBL3232417 0.91 FBP1 (0.56) MEN1KMT2AFBP1MAPK1ALDH1A1
SCHEMBL6954094 0.78 FBP1 (0.61) MEN1KMT2AFBP1MAPK1ALDH1A1
SCHEMBL31380626 0.77 ALDH1A1 (0.53) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL31380601 0.77 ALDH1A1 (0.53) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL31380590 0.77 ALDH1A1 (0.53) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL31380620 0.77 ALDH1A1 (0.53) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL9850705 0.77 FBP1 (0.59) MEN1KMT2AFBP1MAPK1ALDH1A1
SCHEMBL3219973 0.77 MEN1 (0.63) MEN1KMT2AFBP1MAPK1ALDH1A1

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
JP-56034654-A — — None — — JP disclosed
WO-2005011661-A1 PHARMACEUTICAL AGENTS UNIVERSITY COLLEGE LONDON (GB) 2005-02-10 — — WO disclosed
JP-S5634654-A PREPARATION OF C2N+3 CYCLOALK A -N-EN-1-ONE OGAWA HARU 1981-04-06 — — JP disclosed
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