SCHEMBL9001936

SCHEMBL9001936

CCOC(=O)c1cn2c(SCCNC(=S)Nc3ccccc3)cccc2n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.51
▸ ALDH1A1 P00352 9/20 0.46
▸ MAPT P10636 8/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ ALOX12 P18054 5/20 0.46
▸ LMNA P02545 4/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL9002349 0.86 MAPT (0.44) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL9002237 0.83 MAPT (0.53) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL9001947 0.82 ALDH1A1 (0.48) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL9002157 0.79 GAA (0.57) GAAALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL9002771 0.78 GAA (0.64) GAAALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL9001934 0.76 GAA (0.51) GAAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9002404 0.75 GAA (0.49) GAAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL9002430 0.73 MAPT (0.49) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL101291 0.69 GAA (1.00) GAAALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL104191 0.69 GAA (0.70) GAAALDH1A1MAPTLMNASMN1; 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
Send feedback