SCHEMBL9175693

SCHEMBL9175693

O=C1c2ccccc2SCN1CCCl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ ACHE P22303 3/20 0.33
▸ MAOB P27338 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ GLS O94925 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL8980633 0.84 HEXA (0.38) TSHRKDM4EALOX15SIRT1MAPK1
SCHEMBL6144233 0.79 ALDH1A1 (0.49) —
SCHEMBL9166362 0.76 MMP2 (0.34) TSHRKDM4EALOX15SIRT1MAPK1
SCHEMBL5636228 0.71 KDM4E (0.64) TSHRKDM4EALOX15SIRT1ACHE
SCHEMBL7683501 0.69 DRD3 (0.56) ACHE
SCHEMBL30513123 0.68 NPC1 (0.51) KDM4EBCHECES1HTT
SCHEMBL8639215 0.68 TSHR (0.41) TSHRKDM4EALOX15SIRT1MAOB
SCHEMBL2296434 0.65 GLS (0.61) KDM4EGLSHTT
SCHEMBL29750183 0.65 GLS (0.61) KDM4EGLSHTT
SCHEMBL9635018 0.65 NOTUM (0.42) KDM4EALOX15MAPK1

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
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
Send feedback