SCHEMBL23956944

SCHEMBL23956944

CCN(CC)CCOc1ccc(-c2nc(C)c(C(=O)NCCN)s2)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 5/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ PGR P06401 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ PDE4A P27815 1/20 0.52
▸ BLVRB P30043 1/20 0.52
▸ TARBP2 Q15633 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ PPID Q08752 1/20 0.51
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ S1PR1 P21453 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL25828324 0.94 XDH (0.54) XDHABCC4ABCB11PGRCHRM1
SCHEMBL23957016 0.92 XDH (0.52) XDHABCC4ABCB11PGRCHRM1
SCHEMBL23956950 0.85 XDH (0.46) XDHABCC4ABCB11PGRCHRM1
SCHEMBL25828169 0.85 XDH (0.69) XDHABCC4ABCB11PGRCHRM1
Hydrochloric Acid SCHEMBL29217433 0.84 XDH (0.68) XDHABCC4ABCB11PGRCHRM1
SCHEMBL25828182 0.84 XDH (0.67) XDHABCC4ABCB11PGRCHRM1
Hydrochloric Acid SCHEMBL23932805 0.83 XDH (0.66) XDHABCC4ABCB11PGRCHRM1
Hydrochloric Acid SCHEMBL31006731 0.83 XDH (0.66) XDHABCC4ABCB11PGRCHRM1
SCHEMBL23957002 0.81 NPC1 (0.45) XDHABCC4ABCB11PGRCHRM1
Hydrochloric Acid SCHEMBL29217420 0.80 XDH (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4140989-A1 NOVEL 2-ARYLTHIAZOLE DERIVATIVE OR SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Hexapharmatec Co., Ltd. (KR) 2023-03-01 — — EP disclosed
WO-2021215624-A1 NOVEL 2-ARYLTHIAZOLE DERIVATIVE OR SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME (주)헥사파마텍 (KR) 2021-10-28 — — WO disclosed
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