SCHEMBL6627433

SCHEMBL6627433

COc1cccc2cc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](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 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
CHRNA7 P36544 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
MMP2 P08253 1/20 0.33
MMP14 P50281 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCB1 P08183 5/20 0.33
TP53 P04637 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
DRD4 P21917 1/20 0.31
HTR3A P46098 1/20 0.31
PYGL P06737 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
SCHEMBL7468851 0.95 MAPT (0.38) MAPTKDM4EPTGDR2CHRNA7RXFP1
SCHEMBL7473569 0.92 P4HB (0.34) MAPTKDM4EABCB1
SCHEMBL7475427 0.92 KMT2A (0.33) MAPTKDM4EMMP2NPC1RAB9A
SCHEMBL6629115 0.90 MAPT (0.38) MAPTKDM4EPTGDR2CHRNA7RXFP1
SCHEMBL7464789 0.90 KDM4E (0.36) MAPTKDM4EPTGDR2CHRNA7RXFP1
SCHEMBL7464956 0.89 KDM4E (0.35) MAPTKDM4EPTGDR2NPC1RAB9A
SCHEMBL7465517 0.89 KDM4E (0.36) MAPTKDM4EPTGDR2MMP2MMP14
SCHEMBL6629114 0.88 MAPT (0.39) MAPTKDM4EPTGDR2CHRNA7RXFP1
SCHEMBL8029324 0.88 KDM4E (0.34) MAPTKDM4EPTGDR2CHRNA7RXFP1
SCHEMBL7473667 0.88 PYGL (0.33) ABCB1PYGL

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 6 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
EP-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 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
US-5629430-A ANTICARCINOGENIC AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-05-13 US disclosed
EP-0656360-A1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed