SCHEMBL20751484

SCHEMBL20751484

[N-]=[N+]=NCc1csc(CCC(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 18/20 0.39
▸ HDAC1 Q13547 17/20 0.39
▸ GABRA5 P31644 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL16644962 0.90 HDAC1 (0.42) HDAC6HDAC1
SCHEMBL15469243 0.77 HSD17B10 (0.34) GABRA5GABRB2HSD17B10
SCHEMBL16095853 0.72 SMN1; SMN2 (0.43) —
SCHEMBL16644964 0.71 HDAC6 (0.37) HDAC6
SCHEMBL20751486 0.71 RXRA (0.34) —
SCHEMBL15469205 0.71 CYP1A2 (0.37) HDAC6HDAC1HSD17B10
SCHEMBL20536570 0.71 PGK1 (0.39) —
SCHEMBL20536064 0.70 PGK1 (0.38) HDAC6HDAC1
SCHEMBL22652851 0.70 LTB4R (0.44) HDAC6HDAC1
SCHEMBL15417769 0.69 SLC6A3 (0.33) —

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 4 patents. 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
EP-3055298-B1 MODIFIED AMINO ACIDS COMPRISING TETRAZINE FUNCTIONAL GROUPS, METHODS OF PREPARATION, AND METHODS OF THEIR USE SUTRO BIOPHARMA INC (US) 2020-04-29 — — EP disclosed
EP-2890402-B1 MODIFIED AMINO ACIDS COMPRISING AN AZIDO GROUP SUTRO BIOPHARMA INC (US) 2019-04-17 — — EP disclosed
EP-2859017-B1 ANTIBODIES COMPRISING SITE-SPECIFIC NON-NATURAL AMINO ACID RESIDUES, METHODS OF THEIR PREPARATION AND METHODS OF THEIR USE SUTRO BIOPHARMA INC (US) 2019-02-20 — — EP disclosed
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