SCHEMBL9001911

SCHEMBL9001911

CS(=O)(=O)NCCSc1cccc2ncc(Cl)n12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.43
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ KCNJ5 P48544 2/20 0.33
▸ KCNJ3 P48549 2/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ IDO1 P14902 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
SCHEMBL9002528 0.85 ALDH1A1 (0.41) RECQLMAPTALDH1A1HSD17B10LMNA
SCHEMBL9002171 0.85 MAPT (0.41) RECQLMAPTALDH1A1HSD17B10LMNA
SCHEMBL9001904 0.82 MAPT (0.39) RECQLMAPTALDH1A1HSD17B10LMNA
Hydrochloric Acid SCHEMBL9001897 0.81 HSD17B10 (0.37) RECQLMAPTALDH1A1HSD17B10LMNA
SCHEMBL9002068 0.77 HSD17B10 (0.34) RECQLMAPTALDH1A1HSD17B10LMNA
SCHEMBL9002172 0.75 MAPT (0.43) RECQLMAPTALDH1A1HSD17B10LMNA
Hydrochloric Acid SCHEMBL9001908 0.74 MAPT (0.42) RECQLMAPTALDH1A1HSD17B10LMNA
SCHEMBL9002285 0.74 RECQL (0.37) RECQLMAPTALDH1A1HSD17B10LMNA
SCHEMBL9001984 0.69 MAPK1 (0.46) RECQLMAPTALDH1A1HSD17B10MEN1
SCHEMBL9002013 0.68 POLB (0.37) RECQLMAPTALDH1A1HSD17B10LMNA

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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