SCHEMBL22652851

SCHEMBL22652851

[N-]=[N+]=NCc1cc(CCC(=O)O)cs1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 4/20 0.44
▸ KAT2B Q92831 2/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ FFAR1 O14842 4/20 0.34
▸ DAO P14920 2/20 0.33
▸ PTPRB P23467 1/20 0.31
▸ CDC25A P30304 1/20 0.31
▸ CDC25B P30305 1/20 0.31
▸ PTEN P60484 1/20 0.31
▸ PTPMT1 Q8WUK0 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL15469228 0.76 SLC7A5 (0.41) —
SCHEMBL15521418 0.74 FFAR1 (0.53) KEAP1FFAR1HDAC3HDAC1HDAC2
SCHEMBL16644962 0.71 HDAC1 (0.42) HDAC1HDAC6
SCHEMBL21133565 0.71 KAT2B (0.31) KAT2B
SCHEMBL20751484 0.70 HDAC6 (0.39) HDAC1HDAC6
SCHEMBL16644964 0.70 HDAC6 (0.37) KAT2BFFAR1HDAC6
SCHEMBL4675508 0.68 LTB4R (0.50) LTB4RKEAP1FFAR1DAONPSR1
SCHEMBL28882561 0.68 LTB4R (0.47) LTB4RKEAP1FFAR1DAONPSR1
SCHEMBL25240683 0.67 DAO (0.47) LTB4RKEAP1FFAR1DAONPSR1
SCHEMBL16644961 0.67 PPARA (0.46) KAT2BNPSR1

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-2020227105-A1 ANTI-BCMA ANTIBODY CONJUGATES SUTRO BIOPHARMA, INC. (US) 2020-11-12 — — WO disclosed
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