SCHEMBL9001947

SCHEMBL9001947

CCOC(=O)c1c(C)nc2cccc(SCCNC(=S)Nc3ccccc3)n12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.48
▸ MAPT P10636 10/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ GAA P10253 4/20 0.48
▸ ALOX12 P18054 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 5/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TP53 P04637 1/20 0.39

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
SCHEMBL9001936 0.82 GAA (0.51) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL9001984 0.79 MAPK1 (0.46) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL9001968 0.78 MAPK1 (0.51) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL9002349 0.77 MAPT (0.44) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL9002237 0.76 MAPT (0.53) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL9002625 0.75 MAPK1 (0.42) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL9002430 0.69 MAPT (0.49) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL11877443 0.68 MAPK1 (0.60) ALDH1A1MAPTKMT2AGAASMN1; SMN2
Hydrochloric Acid SCHEMBL7868681 0.67 MAPK1 (0.59) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL7863456 0.67 MAPK1 (0.59) ALDH1A1MAPTKMT2AGAASMN1; 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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