SCHEMBL20351069

SCHEMBL20351069

N#Cc1c(Cc2ccccc2)cc(=O)[nH]c1SCc1cccc(C2=NNNN2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.40
▸ POLB P06746 7/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ ACMSD Q8TDX5 5/20 0.39
▸ TNF P01375 2/20 0.39
▸ NOD2 Q9HC29 2/20 0.39
▸ NOD1 Q9Y239 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD11B1 P28845 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ CTSB P07858 1/20 0.35
▸ PLA2G1B P04054 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 0.34

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
SCHEMBL20350877 0.83 BRD4 (0.40) KMT2APOLBMEN1ACMSDTNF
SCHEMBL26847307 0.81 KMT2A (0.39) KMT2APOLBMEN1ACMSDTNF
SCHEMBL20340099 0.80 KMT2A (0.40) KMT2APOLBMEN1ACMSDTNF
SCHEMBL24088036 0.80 ACMSD (0.53) KMT2APOLBMEN1ACMSDTNF
SCHEMBL26847205 0.79 KMT2A (0.43) KMT2APOLBMEN1ACMSDTNF
SCHEMBL20340101 0.77 ACMSD (0.57) KMT2APOLBMEN1ACMSDALDH1A1
SCHEMBL23849883 0.77 ACMSD (0.48) KMT2APOLBMEN1ACMSDTNF
SCHEMBL24088135 0.75 ACMSD (0.39) KMT2APOLBMEN1ACMSDTNF
SCHEMBL26847316 0.75 ACMSD (0.39) KMT2APOLBMEN1ACMSDTNF
SCHEMBL24087880 0.73 ALDH1A1 (0.42) KMT2AACMSDALDH1A1HPGDHSD11B1

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-2018125983-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 — — WO disclosed
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