SCHEMBL9002771

SCHEMBL9002771

CCOC(=O)c1cn2c(SCCN)cccc2n1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.64
▸ KDM4E B2RXH2 6/20 0.47
▸ POLB P06746 2/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ MAPK1 P28482 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ GABRA2 P47869 2/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 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
SCHEMBL9002157 0.83 GAA (0.57) GAAKDM4EPOLBCYP1A2MAPK1
SCHEMBL9001985 0.82 F10 (0.42) GAAKDM4EPOLBALDH1A1RAB9A
SCHEMBL9001934 0.80 GAA (0.51) GAAKDM4EPOLBCYP1A2MAPK1
SCHEMBL3033258 0.79 GAA (0.75) GAAKDM4EPOLBCYP1A2MAPK1
SCHEMBL118187 0.79 GAA (0.75) GAAKDM4EPOLBCYP1A2MAPK1
SCHEMBL101291 0.79 GAA (1.00) GAAKDM4EPOLBCYP1A2MAPK1
SCHEMBL9001936 0.78 GAA (0.51) GAAKDM4EALDH1A1RAB9ANPC1
SCHEMBL9002014 0.77 CYP1A2 (0.35) GAAKDM4ECYP1A2MAPK1ALDH1A1
SCHEMBL9002404 0.77 GAA (0.49) GAAKDM4EPOLBCYP1A2MAPK1
SCHEMBL9001968 0.77 MAPK1 (0.51) GAAKDM4EPOLBCYP1A2MAPK1

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