SCHEMBL6629114

SCHEMBL6629114

COc1cccc2cc(C(=O)Nc3ccc4[nH]c(C(=O)N5c6cc(O)c7[nH]c(C(F)(F)F)c(C(=O)O)c7c6[C@H](CCl)C5C)cc4c3)oc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
MMP2 P08253 1/20 0.34
MMP14 P50281 1/20 0.34
KMT2A Q03164 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CHRNA7 P36544 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
ABCB1 P08183 1/20 0.32
PYGL P06737 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PRNP P04156 1/20 0.31
GAA P10253 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
SCHEMBL6627433 0.88 MAPT (0.38) MAPTKDM4EPTGDR2MMP2MMP14
SCHEMBL6629115 0.84 MAPT (0.38) MAPTKDM4EPTGDR2MMP2MMP14
SCHEMBL7468851 0.83 MAPT (0.38) MAPTKDM4EPTGDR2MMP2MMP14
SCHEMBL6629121 0.83 MAPT (0.38) MAPTKDM4EPTGDR2MMP2MMP14
SCHEMBL7475427 0.80 KMT2A (0.33) MAPTKDM4EMMP2KMT2ANPC1
SCHEMBL7473569 0.80 P4HB (0.34) MAPTKDM4EABCB1POLB
SCHEMBL6627519 0.79 KDM4E (0.40) MAPTKDM4EPTGDR2KMT2ANPC1
SCHEMBL7464789 0.78 KDM4E (0.36) MAPTKDM4EPTGDR2RXFP1CHRNA7
SCHEMBL7461868 0.77 ABCB1 (0.32) KDM4ENPC1RAB9AABCB1PYGL
SCHEMBL8029324 0.77 KDM4E (0.34) MAPTKDM4EPTGDR2RXFP1CHRNA7

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