SCHEMBL28563540

SCHEMBL28563540

c1ccc2c(-c3nsc4ccccc34)nsc2c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ EPAS1 Q99814 9/20 0.50
▸ GPR3 P46089 1/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30987223 1.00 MAPT (0.60) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL6964514 0.86 KDM4E (0.52) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL24566449 0.81 MAPT (0.47) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL330490 0.81 KDM4E (0.43) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL3626867 0.80 MAPT (0.42) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL29940995 0.80 EPAS1 (0.54) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL19358934 0.80 KDM4E (0.46) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL11359600 0.80 ALDH1A1 (0.46) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL3150476 0.80 MAPT (0.46) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL29610220 0.78 KDM4E (0.41) MAPTKDM4EALDH1A1HSD17B10EPAS1

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
CN-113009042-B 3- (1-piperazinyl) -1,2-benzisothiazole hydrochloride and analysis and detection method of related substances thereof 海南鑫开源医药科技有限公司 2023-03-28 — — CN claimed
CN-112920135-A Dimer impurity in ziprasidone hydrochloride raw material and preparation method thereof 海南鑫开源医药科技有限公司 2021-06-08 — — CN claimed
CN-113009042-B 3- (1-piperazinyl) -1,2-benzisothiazole hydrochloride and analysis and detection method of related substances thereof 海南鑫开源医药科技有限公司 2023-03-28 — — CN disclosed
CN-113009042-A Analysis and detection method of 3- (1-piperazinyl) -1, 2-benzisothiazole hydrochloride and related substances thereof 海南鑫开源医药科技有限公司 2021-06-22 — — CN disclosed
CN-112920135-A Dimer impurity in ziprasidone hydrochloride raw material and preparation method thereof 海南鑫开源医药科技有限公司 2021-06-08 — — CN disclosed
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