SCHEMBL6629121

SCHEMBL6629121

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
DRD2 P14416 4/20 0.34
DRD3 P35462 4/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MMP2 P08253 1/20 0.33
MMP14 P50281 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ABCB1 P08183 4/20 0.33
DRD4 P21917 1/20 0.32
TP53 P04637 1/20 0.32
CHRNA7 P36544 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 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 0.86 MAPT (0.38) MAPTKDM4EPTGDR2DRD2DRD3
SCHEMBL6629115 0.83 MAPT (0.38) MAPTKDM4EPTGDR2DRD2DRD3
SCHEMBL6629114 0.83 MAPT (0.39) MAPTKDM4EPTGDR2DRD2DRD3
SCHEMBL8831171 0.83 ABCB1 (0.31) ABCB1RAB9AKMT2A
SCHEMBL6627519 0.82 KDM4E (0.40) MAPTKDM4EPTGDR2DRD2DRD3
SCHEMBL7468851 0.82 MAPT (0.38) MAPTKDM4EPTGDR2DRD2DRD3
SCHEMBL7475427 0.78 KMT2A (0.33) MAPTKDM4EMMP2ABCB1TP53
SCHEMBL7473569 0.78 P4HB (0.34) MAPTKDM4EABCB1
SCHEMBL7464789 0.77 KDM4E (0.36) MAPTKDM4EPTGDR2DRD2DRD3
SCHEMBL8035217 0.76 KDM4E (0.32) MAPTKDM4EPTGDR2

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