SCHEMBL9002528

SCHEMBL9002528

CS(=O)(=O)NCCSc1cccc2ncc(I)n12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ RECQL P46063 2/20 0.38
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ IRAK1 P51617 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
SCHEMBL9001911 0.85 RECQL (0.43) ALDH1A1MAPTHSD17B10RECQLKMT2A
SCHEMBL9002171 0.85 MAPT (0.41) ALDH1A1MAPTHSD17B10RECQLKMT2A
SCHEMBL9001904 0.82 MAPT (0.39) ALDH1A1MAPTHSD17B10RECQLKMT2A
Hydrochloric Acid SCHEMBL9001897 0.81 HSD17B10 (0.37) ALDH1A1MAPTHSD17B10RECQLKMT2A
SCHEMBL9002068 0.77 HSD17B10 (0.34) ALDH1A1MAPTHSD17B10RECQLKMT2A
SCHEMBL9002172 0.75 MAPT (0.43) ALDH1A1MAPTHSD17B10RECQLKMT2A
Hydrochloric Acid SCHEMBL9001908 0.74 MAPT (0.42) ALDH1A1MAPTHSD17B10RECQLKMT2A
SCHEMBL9001984 0.69 MAPK1 (0.46) ALDH1A1MAPTHSD17B10RECQLKMT2A
SCHEMBL9002478 0.69 CYP3A4 (0.46) ALDH1A1HSD17B10KMT2AMEN1LMNA
SCHEMBL9002285 0.69 RECQL (0.37) ALDH1A1MAPTHSD17B10RECQLPOLB

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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