SCHEMBL9002171

SCHEMBL9002171

CS(=O)(=O)NCCSc1cccc2ncc(Br)n12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ RECQL P46063 2/20 0.38
▸ POLB P06746 3/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ IDO1 P14902 2/20 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
SCHEMBL9002528 0.85 ALDH1A1 (0.41) MAPTALDH1A1HSD17B10RECQLPOLB
SCHEMBL9001911 0.85 RECQL (0.43) MAPTALDH1A1HSD17B10RECQLPOLB
SCHEMBL9001904 0.82 MAPT (0.39) MAPTALDH1A1HSD17B10RECQLPOLB
Hydrochloric Acid SCHEMBL9001897 0.81 HSD17B10 (0.37) MAPTALDH1A1HSD17B10RECQLPOLB
SCHEMBL9002478 0.80 CYP3A4 (0.46) ALDH1A1HSD17B10LMNAKMT2AMEN1
SCHEMBL9002068 0.77 HSD17B10 (0.34) MAPTALDH1A1HSD17B10RECQLLMNA
SCHEMBL9001906 0.75 SMN1; SMN2 (0.35) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL9002172 0.75 MAPT (0.43) MAPTALDH1A1HSD17B10RECQLPOLB
Hydrochloric Acid SCHEMBL9001908 0.74 MAPT (0.42) MAPTALDH1A1HSD17B10RECQLPOLB
SCHEMBL9002285 0.71 RECQL (0.37) MAPTALDH1A1HSD17B10RECQLPOLB

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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