SCHEMBL9001985

SCHEMBL9001985

CCOC(=O)Cc1cn2c(SCCN)cccc2n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ KDM4E B2RXH2 7/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ SLC2A2 P11168 1/20 0.37

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
SCHEMBL9002614 0.83 F10 (0.41) F10GAARXFP1KDM4EALDH1A1
SCHEMBL9002771 0.82 GAA (0.64) GAARXFP1KDM4EALDH1A1HPGD
SCHEMBL9002337 0.82 SMN1; SMN2 (0.38) F10GAARXFP1KDM4EALDH1A1
SCHEMBL9001917 0.80 F10 (0.48) F10GAARXFP1KDM4EALDH1A1
SCHEMBL7982683 0.80 GAA (0.47) F10GAARXFP1KDM4EALDH1A1
SCHEMBL9002349 0.79 MAPT (0.44) GAAALDH1A1HPGDTP53RAB9A
SCHEMBL20596633 0.77 GAA (0.47) F10GAARXFP1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL23391613 0.76 GAA (0.46) F10GAARXFP1KDM4EALDH1A1
SCHEMBL9002014 0.75 CYP1A2 (0.35) GAAKDM4EALDH1A1TP53RAB9A
SCHEMBL9001968 0.70 MAPK1 (0.51) GAARXFP1KDM4EALDH1A1HPGD

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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