SCHEMBL9641156

SCHEMBL9641156

C=CC(=O)ONc1cc([N+](=O)[O-])ccc1N=Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ MAPT P10636 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CXCR1 P25024 2/20 0.38
▸ CXCR2 P25025 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CTSV O60911 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 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
SCHEMBL9641159 0.86 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9538116 0.76 TGM2 (0.51) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9538114 0.76 TGM2 (0.51) MEN1KMT2AMAPTALDH1A1LMNA
Acrylic Acid SCHEMBL29013835 0.72 ALDH1A1 (0.53) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9538085 0.71 PPARD (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5306997 0.69 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL28553437 0.69 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL30984401 0.69 HSD17B10 (0.51) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL28553435 0.69 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL11303617 0.69 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1LMNA

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-8611067-B1 Energy storage device PEARSON DANIEL A (US) 2013-12-17 — — US disclosed
US-5173381-A Azo polymers for reversible optical storage QUEEN'S UNIVERSITY (CA) 1992-12-22 — — US disclosed
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