SCHEMBL28526166

SCHEMBL28526166

CCCCCc1ncc(C(=S)OCC)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ RAB9A P51151 5/20 0.33
▸ MAPT P10636 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ AGTR1 P30556 1/20 0.32
▸ AGTR2 P50052 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 3/20 0.31

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
SCHEMBL9591348 0.81 DGAT1 (0.39) DGAT1CYP2C9RAB9AMAPTMEN1
SCHEMBL28511100 0.80 RARB (0.39) RAB9AMAPTL3MBTL1RARBSMN1; SMN2
SCHEMBL28511048 0.78 AGTR1 (0.36) RAB9AMAPTAGTR1AGTR2SMN1; SMN2
SCHEMBL28520507 0.77 RAB9A (0.36) DGAT1RAB9AMAPTL3MBTL1AGTR1
SCHEMBL28523856 0.75 HCAR3 (0.34) RAB9AMAPTL3MBTL1RARBSMN1; SMN2
SCHEMBL12527781 0.73 L3MBTL1 (0.38) RAB9AMAPTL3MBTL1SMN1; SMN2HSD17B10
SCHEMBL28261663 0.73 RARB (0.53) RAB9AMAPTL3MBTL1RARBSMN1; SMN2
SCHEMBL7092189 0.71 EPHX2 (0.44) RAB9AMAPTRARBSMN1; SMN2HSD17B10
SCHEMBL5572514 0.71 RARB (0.55) RAB9AMAPTRARBSMN1; SMN2MEN1
SCHEMBL19185731 0.71 KCNH2 (0.41) RAB9AMAPTL3MBTL1RARBSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106279044-B Pyrimidine hydroxamic acid derivative and preparation method and application thereof 厦门市博瑞来医药科技有限公司 2021-02-19 — — CN disclosed
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