SCHEMBL6629180

SCHEMBL6629180

COc1cccc2cc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(OC(=O)N5CCC[C@]5(O)CO)c5[nH]c(C(F)(F)F)c(C(=O)O)c65)cc4c3)oc12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL7464789 0.89 KDM4E (0.36) KDM4EMAPTPTGDR2CHRNA7
SCHEMBL8029324 0.89 KDM4E (0.34) KDM4EMAPTPTGDR2CHRNA7
SCHEMBL6631577 0.88 KDM4E (0.34) KDM4EMAPTPTGDR2CHRNA7
SCHEMBL6627643 0.88 KDM4E (0.34) KDM4EMAPTPTGDR2CHRNA7
Hydrochloric Acid SCHEMBL7467807 0.88 FLT3 (0.38) KDM4EMAPTPTGDR2CHRNA7
SCHEMBL6628904 0.87 KDM4E (0.34) KDM4EMAPTPTGDR2CHRNA7
SCHEMBL6627433 0.87 MAPT (0.38) KDM4EMAPTPTGDR2CHRNA7
SCHEMBL6629514 0.86 KDM4E (0.34) KDM4EMAPTPTGDR2CHRNA7
SCHEMBL6629692 0.86 HRH3 (0.39) KDM4EMAPTPTGDR2CHRNA7
Hydrochloric Acid SCHEMBL7469085 0.85 KDM4E (0.36) KDM4EMAPTPTGDR2CHRNA7

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-0972775-B1 PYRROLOINDOLE DERIVATIVES AND INTERMEDIATES IN PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2004-12-08 EP disclosed
US-6080859-A 1-CHLOROMETHYL, 3-((HETEROARYL OR ARYL)CARBONYL), 5-(HETEROCYCLE-AMINOCARBONYLOXY),7-TRIFLUOROMETHYL, 8-ALKOXYCARBONYL-1,2,3,6-TETRAHYDROPYRROLO(3,2-E)INDOLE OF GIVEN STRUCTURE; ANTITUMOR AND ANTIMICROBIAL ACTIVITY KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0972775-A1 PYRROLOINDOLE DERIVATIVES AND INTERMEDIATES IN PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-01-19 EP disclosed