SCHEMBL9720227

SCHEMBL9720227

O=[N+]([O-])c1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.70
▸ ALDH1A1 P00352 5/20 0.70
▸ GSK3B P49841 4/20 0.68
▸ RAB9A P51151 5/20 0.62
▸ NPC1 O15118 4/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ CA13 Q8N1Q1 1/20 0.61
▸ KMT2A Q03164 2/20 0.59
▸ NOTUM Q6P988 1/20 0.59
▸ GUSB P08236 1/20 0.56
▸ MMP2 P08253 1/20 0.56
▸ MMP9 P14780 1/20 0.56
▸ MMP8 P22894 1/20 0.56
▸ MMP13 P45452 1/20 0.56
▸ PTGS2 P35354 3/20 0.55
▸ PDCD1 Q15116 1/20 0.55
▸ CD274 Q9NZQ7 1/20 0.55

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
SCHEMBL26071703 0.93 NPC1 (0.73) MAPTALDH1A1GSK3BRAB9ANPC1
SCHEMBL18292345 0.91 RAB9A (0.63) MAPTALDH1A1GSK3BRAB9ANPC1
SCHEMBL28820070 0.91 GSK3B (0.72) MAPTALDH1A1GSK3BRAB9ANPC1
SCHEMBL28693032 0.91 RAB9A (0.72) MAPTALDH1A1GSK3BRAB9ANPC1
SCHEMBL11363595 0.89 METAP2 (0.60) MAPTALDH1A1GSK3BRAB9ANPC1
SCHEMBL11363599 0.89 METAP2 (0.60) MAPTALDH1A1GSK3BRAB9ANPC1
SCHEMBL10401832 0.87 MAPT (0.60) MAPTALDH1A1GSK3BRAB9ANPC1
SCHEMBL6600158 0.87 MAPT (0.60) MAPTALDH1A1GSK3BRAB9ANPC1
SCHEMBL223767 0.87 MAPT (0.65) MAPTALDH1A1GSK3BRAB9ANPC1
SCHEMBL17125478 0.87 MAPT (0.60) MAPTALDH1A1GSK3BRAB9ANPC1

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-113683085-B Preparation method of aminated graphene oxide 常州恒利宝纳米新材料科技有限公司 2023-11-21 — — CN disclosed
US-5110986-A Reaction of a 1,3,4-oxadiazole with a tert-alkyl cation precursor in presence of strong acid catalyst ROHM AND HAAS COMPANY (US) 1992-05-05 — — US disclosed
US-4251613-A LAMINATE OF CONDUCTIVE SUPPORT AND PHOTOSENSITIVE LAYER RICOH COMPANY, LTD. (JP) 1981-02-17 — — US disclosed
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