SCHEMBL30526525

SCHEMBL30526525

CCCCCCCCNC(=O)CNc1nc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.63
▸ RAB9A P51151 7/20 0.63
▸ SMN1; SMN2 Q16637 5/20 0.63
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ STAT1 P42224 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ MGLL Q99685 1/20 0.53
▸ HDAC6 Q9UBN7 3/20 0.50
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ MAPT P10636 1/20 0.49

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
SCHEMBL30526523 1.00 NPC1 (0.63) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL30526512 1.00 NPC1 (0.63) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL31390759 0.86 HDAC6 (0.66) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL31390754 0.86 HDAC6 (0.66) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL30526519 0.84 CA12 (0.57) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL30526510 0.84 CA12 (0.57) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL30526528 0.84 CA12 (0.57) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL19497780 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL22039979 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL22040024 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2

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
CN-116554124-B 2- (2-Benzo [ d ] thiazolylamino) acetamides compound and preparation method and application thereof 深度感知生物信息有限公司 2025-03-04 — — CN disclosed
CN-116554124-A 2- (2-benzo [ d ] thiazolylamino) acetamides compound and preparation method and application thereof 暨南大学 2023-08-08 — — CN disclosed
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