SCHEMBL8980633

SCHEMBL8980633

O=C1c2ccccc2SCN1CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 1/20 0.38
▸ HEXB P07686 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ TUBB4A P04350 1/20 0.33

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
SCHEMBL9175693 0.84 ELANE (0.35) TSHRKDM4EALOX15SIRT1MAPK1
SCHEMBL6144233 0.79 ALDH1A1 (0.49) PARP1MAPTNPSR1KMT2AMEN1
SCHEMBL9166362 0.76 MMP2 (0.34) TSHRKDM4EALOX15SIRT1MAPT
Bromide SCHEMBL31588243 0.75 TP53 (0.36) TSHRKDM4EPARP1PARP2MAPT
SCHEMBL9466888 0.71 KDM4E (0.69) TSHRKDM4EALOX15SIRT1PARP1
SCHEMBL5637049 0.71 KDM4E (0.69) TSHRKDM4EALOX15SIRT1PARP1
SCHEMBL7686132 0.69 DRD3 (0.53) TSHRKDM4EALOX15SIRT1ALDH1A1
SCHEMBL30183479 0.69 DRD3 (0.53) TSHRKDM4EALOX15SIRT1ALDH1A1
SCHEMBL30513123 0.68 NPC1 (0.51) KDM4EMAPTNPSR1KMT2AMEN1
SCHEMBL8578821 0.68 CES1 (0.42) HEXAHEXBTSHRKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 — — EP disclosed
EP-0490183-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1995-04-19 — — EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 — — WO 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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