SCHEMBL28523856

SCHEMBL28523856

CCCCCc1ncc(C(=S)NO)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.34
▸ RARB P10826 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ STAT3 P40763 1/20 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
SCHEMBL28511100 0.81 RARB (0.39) HCAR3RARBRAB9ASMN1; SMN2MAPT
SCHEMBL28526166 0.75 DGAT1 (0.34) HCAR3RARBRAB9ASMN1; SMN2MAPT
SCHEMBL28261663 0.74 RARB (0.53) HCAR3RARBRAB9ASMN1; SMN2MAPT
SCHEMBL7092189 0.72 EPHX2 (0.44) HCAR3RARBRAB9ASMN1; SMN2MAPT
SCHEMBL5572514 0.72 RARB (0.55) HCAR3RARBRAB9ASMN1; SMN2MAPT
SCHEMBL2358419 0.72 RAB9A (0.39) RAB9ASMN1; SMN2MAPTKDM4EMEN1
SCHEMBL15894460 0.71 RAB9A (0.41) RAB9ASMN1; SMN2MAPTKDM4EMEN1
SCHEMBL28351808 0.71 PTGS2 (0.48) RAB9ASMN1; SMN2MAPTKDM4EMEN1
SCHEMBL18005443 0.71 PTGS2 (0.48) RAB9ASMN1; SMN2MAPTKDM4EMEN1
SCHEMBL17967576 0.71 RAB9A (0.41) RAB9ASMN1; SMN2MAPTKDM4EMEN1

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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