SCHEMBL9166362

SCHEMBL9166362

O=C1c2ccccc2SCN1CCO[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.32
▸ HTT P42858 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PTGS2 P35354 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SIRT1 Q96EB6 1/20 0.30
▸ SCN2A Q99250 1/20 0.30

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
SCHEMBL8653024 0.80 CASP3 (0.34) MAPT
SCHEMBL8980633 0.76 HEXA (0.38) ALDH1A1MAPTMAPK1SMN1; SMN2RAB9A
SCHEMBL9175693 0.76 ELANE (0.35) HTTMAPK1KDM4EALOX15TSHR
Sinitrodil SCHEMBL31066546 0.74 TSHR (0.34) MMP2MMP9ALDH1A1HTTLMNA
Sinitrodil SCHEMBL503115 0.74 TSHR (0.34) MMP2MMP9ALDH1A1HTTLMNA
SCHEMBL3774059 0.72 ALDH1A1 (0.52) ALDH1A1LMNAAGTR1MAPTMAPK1
SCHEMBL6144233 0.71 ALDH1A1 (0.49) ALDH1A1MAPTRAB9A
SCHEMBL9545463 0.69 NOTUM (0.44) ALDH1A1MAPTRAB9APTGS2KDM4E
SCHEMBL8572927 0.67 POLB (0.39) ALDH1A1LMNAMAPT
SCHEMBL10913065 0.67 MAPT (0.59) ALDH1A1LMNAAGTR1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0490183-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1995-04-19 — — EP claimed
US-5189034-A Vasodilating, antianginal agents ITALFARMACO S.P.A. (IT) 1993-02-23 — — US claimed
EP-0490183-A1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO S.p.A. (IT) 1992-06-17 — — EP claimed
EP-0490183-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1995-04-19 — — EP disclosed
US-5189034-A Vasodilating, antianginal agents ITALFARMACO S.P.A. (IT) 1993-02-23 — — US disclosed
EP-0490183-A1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO S.p.A. (IT) 1992-06-17 — — EP disclosed
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