SCHEMBL7093084

SCHEMBL7093084

CN1CCN(NC(=O)/C(Cc2cc(Br)c(OCCCN)c(Br)c2)=N\O)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 6/20 0.40
▸ THRA P10827 5/20 0.40
▸ GAA P10253 1/20 0.36
▸ ICMT O60725 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL7089760 1.00 THRB (0.40) THRBTHRAGAAICMTPKM
SCHEMBL13542838 0.79 THRB (0.49) THRBTHRAICMTCA12CA1
SCHEMBL7089445 0.76 HDAC3 (0.48) THRBTHRAICMTCA12CA1
SCHEMBL7089449 0.76 HDAC3 (0.48) THRBTHRAICMTCA12CA1
SCHEMBL7088914 0.75 HSD17B10 (0.43) HRH3LMNA
SCHEMBL13542841 0.74 HDAC3 (0.44) THRBTHRAICMTCA12CA1
SCHEMBL7089006 0.73 HDAC3 (0.45) THRBTHRAICMTCA12CA1
SCHEMBL7092305 0.73 FOXO1 (0.46) THRBTHRAICMTHRH3CA12
SCHEMBL7092254 0.72 HDAC3 (0.44) THRBTHRAICMTCA12CA1
SCHEMBL7089774 0.71 SMN1; SMN2 (0.45) GAAPKMKMT2ALMNASMN1; SMN2

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
WO-2003087127-A2 ANTIMICROBIAL COMPOUNDS AGAINST STAPHYLOCOCCI, MYCOBACTERIA, AND OTHER INFECTIOUS AGENTS EXEGENICS INC. (US) 2003-10-23 — — WO claimed
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