SCHEMBL9001904

SCHEMBL9001904

CS(=O)(=O)NCCSc1cccc2ncc([N+](=O)[O-])n12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ CA12 O43570 2/20 0.37
▸ RECQL P46063 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ LMNA P02545 1/20 0.33

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 0.82 RECQL (0.43) MAPTALDH1A1HSD17B10RECQLPOLB
SCHEMBL9002171 0.82 MAPT (0.41) MAPTALDH1A1HSD17B10RECQLPOLB
SCHEMBL9002528 0.82 ALDH1A1 (0.41) MAPTALDH1A1HSD17B10RECQLPOLB
Hydrochloric Acid SCHEMBL9002072 0.78 CYP1A2 (0.36) MAPTALDH1A1CA1CA2CA9
Hydrochloric Acid SCHEMBL9001897 0.78 HSD17B10 (0.37) MAPTALDH1A1HSD17B10RECQLPOLB
SCHEMBL9001898 0.78 TTK (0.38) CA1CA2CA9CA12POLB
SCHEMBL9002068 0.74 HSD17B10 (0.34) MAPTALDH1A1HSD17B10RECQLMEN1
SCHEMBL9002172 0.72 MAPT (0.43) MAPTALDH1A1HSD17B10RECQLPOLB
Hydrochloric Acid SCHEMBL9001908 0.71 MAPT (0.42) MAPTALDH1A1HSD17B10RECQLPOLB
SCHEMBL9001984 0.67 MAPK1 (0.46) MAPTALDH1A1HSD17B10RECQLSMN1; SMN2

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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