SCHEMBL2880571

SCHEMBL2880571

COc1cc2c(cc1NC(=O)CCl)OC(C)(C)C(O)[C@H]2NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
ABCC9 O60706 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2880578 1.00 KCNH2 (0.40) KCNH2KDM4ENPC1MITFTHRB
SCHEMBL5664623 0.83 ALDH1A1 (0.42) ABCC9ALDH1A1SMN1; SMN2
SCHEMBL5664620 0.83 ALDH1A1 (0.42) ABCC9ALDH1A1SMN1; SMN2
SCHEMBL2887359 0.80 ABCC9 (0.42) ABCC9
SCHEMBL2887357 0.80 ABCC9 (0.42) ABCC9
SCHEMBL2891555 0.76 KCNH2 (0.47) KCNH2ABCC9ALDH1A1TSHR
SCHEMBL2891562 0.76 KCNH2 (0.47) KCNH2ABCC9ALDH1A1TSHR
SCHEMBL2891557 0.76 KCNH2 (0.47) KCNH2ABCC9ALDH1A1TSHR
SCHEMBL2012416 0.72 KCNA5 (0.39) KCNH2KDM4ENPC1MITFTHRB
SCHEMBL2012412 0.72 KCNA5 (0.39) KCNH2KDM4ENPC1MITFTHRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 WO disclosed