SCHEMBL12658016

SCHEMBL12658016

COC(=O)c1[nH]c(C(=O)OC)c(-c2c[nH]c3ccc(F)cc23)c1-c1c[nH]c2c1=CC(Cl)CC=2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.37
▸ HTR2A P28223 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SPR P35270 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ FLT4 P35916 1/20 0.33

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
SCHEMBL12658117 0.90 NR4A2 (0.45) SLC6A4KMT2AKDM4EMEN1ALDH1A1
SCHEMBL12658199 0.90 HTR2A (0.38) SLC6A4HTR2AKCNH2KMT2AKDM4E
SCHEMBL12658219 0.85 KDM4E (0.38) SLC6A4HTR2AKCNH2KMT2AKDM4E
SCHEMBL14188729 0.82 KDM4E (0.46) KMT2AKDM4ELMNAMEN1ALDH1A1
SCHEMBL12658115 0.81 NR4A2 (0.45) SLC6A4HTR2AKMT2AKDM4EMEN1
SCHEMBL12658120 0.79 NR4A2 (0.55) KMT2AKDM4ELMNAMEN1ALDH1A1
SCHEMBL12658216 0.78 TDO2 (0.41) HTR2AKCNH2
SCHEMBL12658121 0.78 IGF1R (0.37) KMT2AKDM4ELMNAMEN1ALDH1A1
SCHEMBL12658122 0.77 MAPT (0.49) KMT2AKDM4ELMNAMEN1ALDH1A1
SCHEMBL12658025 0.73 ALPL (0.49) KMT2AMEN1MAPTNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711486-B1 BIS-INDOLE PYRROLES USEFUL AS ANTIMICROBIAL AGENTS NEREUS PHARMACEUTICALS INC (US) 2011-05-11 — — EP disclosed
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