SCHEMBL20351001

SCHEMBL20351001

N#Cc1c(Cc2ccccc2)cc(=O)[nH]c1SCc1cccc(/C(=N/N)NN)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 10/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ LMNA P02545 2/20 0.37
▸ HSD11B1 P28845 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ADORA1 P30542 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL20350865 0.88 ACMSD (0.45) ACMSDKMT2AALDH1A1HPGDMEN1
SCHEMBL20340101 0.85 ACMSD (0.57) ACMSDKMT2AALDH1A1HPGDMEN1
SCHEMBL20350867 0.84 KDM4E (0.50) ACMSDKMT2AALDH1A1HPGDMEN1
SCHEMBL20350868 0.81 ACMSD (0.42) ACMSDKMT2AALDH1A1HPGDMEN1
SCHEMBL20350995 0.81 ACMSD (0.47) ACMSDKMT2AALDH1A1HPGDMEN1
SCHEMBL20350884 0.81 ACMSD (0.48) ACMSDKMT2AALDH1A1HPGDMEN1
SCHEMBL20350828 0.79 ACMSD (0.40) ACMSDKMT2AALDH1A1HPGDMEN1
SCHEMBL23849883 0.79 ACMSD (0.48) ACMSDKMT2AALDH1A1HPGDMEN1
SCHEMBL26847205 0.78 KMT2A (0.43) ACMSDKMT2AALDH1A1HPGDMEN1
SCHEMBL20350883 0.78 ALDH1A1 (0.47) KMT2AALDH1A1HPGDMEN1POLB

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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