SCHEMBL9001917

SCHEMBL9001917

CCOC(=O)Cc1cn2c(Cl)cccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.48
▸ GAA P10253 3/20 0.47
▸ SLC2A2 P11168 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HPGD P15428 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CHEK1 O14757 1/20 0.41

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
SCHEMBL7982683 0.87 GAA (0.47) F10GAASLC2A2ALDH1A1KDM4E
SCHEMBL20596633 0.84 GAA (0.47) F10GAASLC2A2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL23391613 0.83 GAA (0.46) F10GAASLC2A2ALDH1A1KDM4E
SCHEMBL9001985 0.80 F10 (0.42) F10GAASLC2A2ALDH1A1KDM4E
SCHEMBL20596598 0.79 F10 (0.43) F10GAASLC2A2ALDH1A1KDM4E
SCHEMBL118187 0.78 GAA (0.75) GAAALDH1A1KDM4EMAPTPOLB
SCHEMBL20596512 0.77 F10 (0.44) F10GAASLC2A2ALDH1A1KDM4E
SCHEMBL9570224 0.77 PDE10A (0.50) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL1668064 0.76 ALDH1A1 (0.60) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL7983599 0.76 PDE4A (0.47) GAAALDH1A1KDM4EMAPTMEN1

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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