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SCHEMBL8035216

SCHEMBL8035216

COc1cccc2cc(C(=O)Nc3ccc4[nH]c(C(=O)N5CCc6c5cc(OC(=O)N5CCOC[C@@]5(C)O[Si](C)(C)C(C)(C)C)c5[nH]c(C(F)(F)F)c(C(=O)OCCl)c65)cc4c3)oc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL6630219 0.86 KDM4E (0.34) KDM4EMAPTRXFP1PTGDR2
SCHEMBL6627641 0.86 KDM4E (0.34) KDM4EMAPTRXFP1PTGDR2
SCHEMBL6627519 0.85 KDM4E (0.40) KDM4EMAPTRXFP1PTGDR2
SCHEMBL6630070 0.84 KDM4E (0.35) KDM4EMAPTRXFP1PTGDR2
SCHEMBL8019709 0.83 KDM4E (0.34) KDM4EMAPTRXFP1PTGDR2
SCHEMBL6629177 0.83 KDM4E (0.34) KDM4EMAPTPTGDR2
SCHEMBL6628899 0.83 KDM4E (0.34) KDM4EMAPTRXFP1PTGDR2
SCHEMBL6629687 0.83 HRH3 (0.38) KDM4EMAPTRXFP1PTGDR2
SCHEMBL8035217 0.77 KDM4E (0.32) KDM4EMAPTPTGDR2
SCHEMBL8127566 0.73 KDM4E (0.32) KDM4EMAPTPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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