SCHEMBL8867261

SCHEMBL8867261

Cc1nc(-c2ccc(N3CCOCC3)c(C#N)c2)sc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 10/20 0.66
▸ ABCC4 O15439 1/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ PGR P06401 1/20 0.55
▸ CHRM1 P11229 1/20 0.55
▸ PDE4A P27815 1/20 0.55
▸ BLVRB P30043 1/20 0.55
▸ TARBP2 Q15633 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ ABCG2 Q9UNQ0 1/20 0.55
▸ PIK3CD O00329 1/20 0.51
▸ PIK3CA P42336 1/20 0.51
▸ PIK3CB P42338 1/20 0.51
▸ CNR1 P21554 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL8867039 0.89 XDH (0.60) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523357 0.88 XDH (0.65) XDHABCC4ABCB11PGRCHRM1
SCHEMBL8867072 0.86 SMN1; SMN2 (0.55) XDHTARBP2PIK3CDPIK3CAPIK3CB
SCHEMBL8867322 0.82 RAB9A (0.55) PIK3CDPIK3CAPIK3CBCNR1KDM4E
SCHEMBL19523324 0.80 XDH (0.52) XDHABCC4ABCB11PGRCHRM1
SCHEMBL17134283 0.79 XDH (1.00) XDH
SCHEMBL438271 0.79 XDH (0.68) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3708666 0.78 XDH (0.68) XDHABCC4ABCB11PGRCHRM1
SCHEMBL31550177 0.76 PIK3CD (0.47) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3379629 0.76 KDM4E (0.65) XDHABCC4ABCB11PGRCHRM1

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-2927219-B1 2-ARYL SELENAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD (CN) 2018-05-30 — — EP disclosed
US-9802907-B2 2-aryl selenazole compound and pharmaceutical composition thereof JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2017-10-31 — — US disclosed
US-5614520-A 2-arylthiazole derivatives and pharmaceutical composition thereof TEIJIN LIMITED (JP) 1997-03-25 — — US disclosed
EP-0513379-B1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1996-09-11 — — EP disclosed
EP-0513379-A1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1992-11-19 — — EP disclosed
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