SCHEMBL23924722

SCHEMBL23924722

[N-]=[N+]=NC(=O)C(N)Cc1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.57
TAAR1 Q96RJ0 3/20 0.44
HDAC8 Q9BY41 2/20 0.44
SLC6A2 P23975 1/20 0.44
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
DPP4 P27487 2/20 0.41
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
YARS1 P54577 2/20 0.39
ERAP2 Q6P179 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39

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
SCHEMBL23924821 0.85 ALPI (0.58) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL16967408 0.85 ALPI (0.58) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL30477214 0.85 ALPI (0.58) SLC7A5HDAC8ALPIPKMPTGS1
Tyrosine SCHEMBL11237088 0.80 SLC7A5 (0.89) SLC7A5TAAR1ALPIPKMPTGS1
SCHEMBL17040109 0.78 SLC7A5 (0.62) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL9296746 0.77 SLC7A5 (0.53) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL10885509 0.75 SLC7A5 (0.59) SLC7A5TAAR1HDAC8SLC6A2ESR1
Tyrosine SCHEMBL11237101 0.75 SLC7A5 (0.80) SLC7A5ALPIPKMPTGS1XIAP
Tyrosine SCHEMBL11237098 0.75 SLC7A5 (0.80) SLC7A5ALPIPKMPTGS1XIAP
Tyrosine SCHEMBL9550961 0.74 SLC7A5 (0.92) SLC7A5TAAR1ALPIPKMPTGS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250250560-A1 COMPOSITIONS AND METHODS FOR SCREENING APTAMERS CZ BIOHUB SF, LLC 2025-08-07 US disclosed
US-12258558-B2 Compositions and methods for screening aptamers CZ BIOHUB SF, LLC (US) 2025-03-25 US disclosed
US-20210324374-A1 COMPOSITIONS AND METHODS FOR SCREENING APTAMERS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-10-21 US disclosed