SCHEMBL9002614

SCHEMBL9002614

CCOC(=O)Cc1cn2c(SCCNS(C)(=O)=O)cccc2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.41
▸ GAA P10253 2/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ SLC2A2 P11168 1/20 0.34

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
SCHEMBL9002353 0.87 RAB9A (0.40) GAATP53RAB9AALDH1A1MAPT
SCHEMBL9002157 0.84 GAA (0.57) GAARXFP1RAB9AALDH1A1MAPT
SCHEMBL9001985 0.83 F10 (0.42) F10GAARXFP1TP53RAB9A
SCHEMBL9002349 0.80 MAPT (0.44) GAATP53RAB9AALDH1A1MAPT
SCHEMBL9002337 0.75 SMN1; SMN2 (0.38) F10GAARXFP1TP53RAB9A
SCHEMBL9001984 0.74 MAPK1 (0.46) GAARXFP1TP53RAB9AALDH1A1
SCHEMBL9001917 0.73 F10 (0.48) F10GAARXFP1ALDH1A1MAPT
SCHEMBL7982683 0.73 GAA (0.47) F10GAARXFP1ALDH1A1MAPT
SCHEMBL20596633 0.73 GAA (0.47) F10GAARXFP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL23391613 0.72 GAA (0.46) F10GAARXFP1ALDH1A1MAPT

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