SCHEMBL6629177

SCHEMBL6629177

COc1cccc2cc(C(=O)Nc3ccc4[nH]c(C(=O)N5CCc6c5cc(OC(=O)N5C[C@H](CO)C[C@@H]5O)c5[nH]c(C(F)(F)F)c(C(=O)OCCl)c65)cc4c3)oc12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
CHRNA7 P36544 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.30
ABCB1 P08183 1/20 0.30
HTR3A P46098 1/20 0.30

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
SCHEMBL6628899 0.91 KDM4E (0.34) KDM4EMAPTCHRNA7PTGDR2ABCB1
SCHEMBL6630070 0.90 KDM4E (0.35) KDM4EMAPTCHRNA7PTGDR2ABCB1
SCHEMBL8019709 0.90 KDM4E (0.34) KDM4EMAPTCHRNA7PTGDR2ABCB1
SCHEMBL6630219 0.89 KDM4E (0.34) KDM4EMAPTCHRNA7PTGDR2ABCB1
SCHEMBL6627641 0.89 KDM4E (0.34) KDM4EMAPTCHRNA7PTGDR2ABCB1
SCHEMBL6629687 0.87 HRH3 (0.38) KDM4EMAPTCHRNA7PTGDR2ABCB1
SCHEMBL6627519 0.87 KDM4E (0.40) KDM4EMAPTCHRNA7PTGDR2ABCB1
SCHEMBL8035216 0.83 KDM4E (0.33) KDM4EMAPTPTGDR2
SCHEMBL8716072 0.79 KDM4E (0.34) KDM4EMAPTCHRNA7PTGDR2HTR3A
SCHEMBL6628904 0.78 KDM4E (0.34) KDM4EMAPTCHRNA7PTGDR2

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