SCHEMBL9002353

SCHEMBL9002353

CS(=O)(=O)NCCSc1cccc2nc(CC(=O)O)cn12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RECQL P46063 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9002614 0.87 F10 (0.41) RAB9ATP53HSD17B10MAPTALDH1A1
SCHEMBL9002157 0.78 GAA (0.57) RAB9AHSD17B10MAPTALDH1A1KDM4E
SCHEMBL9002172 0.73 MAPT (0.43) HSD17B10MAPTALDH1A1POLBTDP1
Hydrochloric Acid SCHEMBL9001908 0.72 MAPT (0.42) HSD17B10MAPTALDH1A1POLBTDP1
SCHEMBL9002528 0.69 ALDH1A1 (0.41) HSD17B10MAPTALDH1A1POLBTDP1
SCHEMBL9002349 0.68 MAPT (0.44) RAB9ATP53HSD17B10MAPTALDH1A1
SCHEMBL9001984 0.67 MAPK1 (0.46) RAB9ATP53HSD17B10MAPTALDH1A1
SCHEMBL9002171 0.67 MAPT (0.41) HSD17B10MAPTALDH1A1POLBTDP1
SCHEMBL9002013 0.67 POLB (0.37) HSD17B10MAPTALDH1A1POLBTDP1
SCHEMBL9001911 0.67 RECQL (0.43) HSD17B10MAPTALDH1A1POLBTDP1

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
US-5587383-A CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-24 — — US disclosed
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 — — EP disclosed
US-5395839-A Calmodulin and angiogenesis inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-07 — — US disclosed
US-5244908-A Calmodulin inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-14 — — US disclosed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 — — EP disclosed
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