SCHEMBL12658219

SCHEMBL12658219

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SPR P35270 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ IGF1R P08069 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36

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
SCHEMBL12658216 0.93 TDO2 (0.41) HTR2AKCNH2PARP1
SCHEMBL14188729 0.87 KDM4E (0.46) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL12658199 0.86 HTR2A (0.38) KDM4ELMNAMEN1KMT2ASLC6A4
SCHEMBL12658016 0.85 SLC6A4 (0.37) KDM4ELMNAMEN1KMT2ASLC6A4
SCHEMBL12658122 0.82 MAPT (0.49) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL12658120 0.81 NR4A2 (0.55) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL12658025 0.78 ALPL (0.49) MEN1KMT2AMAPT
SCHEMBL14215657 0.77 KDM4E (0.46) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL12658117 0.74 NR4A2 (0.45) KDM4EMEN1KMT2ASLC6A4ALDH1A1
Lynamicin D SCHEMBL12658118 0.73 NR4A2 (0.63) KDM4EMEN1KMT2AALDH1A1MAPT

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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