SCHEMBL11364139

SCHEMBL11364139

CCOC(=O)c1cnc2c(=O)c3cc([N+](=O)[O-])ccc3oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.46
▸ MAPT P10636 5/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ELANE P08246 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ F2 P00734 2/20 0.41
▸ PLAU P00749 2/20 0.41
▸ CTRB1 P17538 2/20 0.41
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40

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
SCHEMBL11361736 0.84 GABRA1 (0.45) MAOBMAPTNPC1KDM4ERAB9A
SCHEMBL11544426 0.84 NPC1 (0.45) MAOBMAPTNPC1RAB9AMEN1
SCHEMBL11356523 0.83 MAOB (0.55) MAOBMAPTNPC1KDM4ERAB9A
SCHEMBL11370496 0.82 RAB9A (0.53) MAPTNPC1KDM4ERAB9AELANE
SCHEMBL11357037 0.82 GABRP (0.57) MAOBMAPTNPC1KDM4ERAB9A
SCHEMBL4253620 0.74 MAOB (0.66) MAOBMAPTHIF1ACA12CA9
SCHEMBL28409651 0.73 HIF1A (0.70) MAPTKDM4EHIF1AALDH1A1
SCHEMBL6981203 0.72 HIF1A (0.57) MAPTNPC1KDM4ERAB9AELANE
SCHEMBL11094523 0.72 MAPT (0.49) MAOBMAPTNPC1KDM4ERAB9A
SCHEMBL27903825 0.71 KDM4E (0.61) MAPTNPC1KDM4ERAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4299963-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-10 — — US claimed
US-4299963-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-10 — — US disclosed
US-4255576-A 1-Azaxanthone derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-03-10 — — US disclosed
US-4143042-A ANTIALLERGENS, BRONCHODILATOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-06 — — US disclosed
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