SCHEMBL11812017

SCHEMBL11812017

O=c1oc(-c2ccccc2)nc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.76
▸ MEN1 O00255 7/20 0.76
▸ KMT2A Q03164 7/20 0.76
▸ L3MBTL1 Q9Y468 2/20 0.76
▸ ELANE P08246 2/20 0.74
▸ C1R P00736 4/20 0.70
▸ RAB9A P51151 8/20 0.69
▸ NPC1 O15118 6/20 0.69
▸ SMN1; SMN2 Q16637 4/20 0.69
▸ F7 P08709 1/20 0.67
▸ F3 P13726 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ MMP2 P08253 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ MMP8 P22894 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ F2 P00734 1/20 0.53
▸ MCL1 Q07820 1/20 0.52
▸ ATM Q13315 1/20 0.52

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
SCHEMBL6567235 0.93 MEN1 (0.72) MAPTMEN1KMT2AL3MBTL1ELANE
SCHEMBL157666 0.91 MEN1 (0.81) MAPTMEN1KMT2AL3MBTL1ELANE
SCHEMBL31742426 0.88 RAB9A (0.75) MAPTMEN1KMT2AL3MBTL1ELANE
SCHEMBL31742429 0.87 MAPT (0.65) MAPTMEN1KMT2AL3MBTL1ELANE
SCHEMBL31742425 0.87 MEN1 (0.64) MAPTMEN1KMT2AL3MBTL1ELANE
SCHEMBL31742427 0.86 MEN1 (0.67) MAPTMEN1KMT2AL3MBTL1ELANE
SCHEMBL31742428 0.86 F7 (0.71) MAPTMEN1KMT2AL3MBTL1ELANE
SCHEMBL692792 0.86 MEN1 (1.00) MAPTMEN1KMT2AL3MBTL1ELANE
SCHEMBL29576857 0.86 MEN1 (1.00) MAPTMEN1KMT2AL3MBTL1ELANE
SCHEMBL29633854 0.85 KMT2A (1.00) MAPTMEN1KMT2AL3MBTL1ELANE

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
US-3970652-A Selectively herbicidal 2-substituted-4H-3,1-benzoxazin-4-ones GULF RESEARCH & DEVELOPMENT COMPANY (US) 1976-07-20 — — US disclosed
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