SCHEMBL25072170

SCHEMBL25072170

C=C(CN)NC(CSCCC#N)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.32
▸ NAALAD2 Q9Y3Q0 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ SLC1A2 P43004 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL25072169 0.84 — —
SCHEMBL27218102 0.79 ALDH1A1 (0.45) ACENAALAD2ALDH1A1POLB
SCHEMBL27218100 0.79 ALDH1A1 (0.45) ACENAALAD2ALDH1A1POLB
Ammonia Solution, Strong SCHEMBL30416300 0.78 ALDH1A1 (0.44) ACENAALAD2ALDH1A1POLB
SCHEMBL31508459 0.77 ALDH1A1 (0.37) ACENAALAD2ALDH1A1POLB
SCHEMBL25072167 0.68 SIRT6 (0.31) —
SCHEMBL17325362 0.67 KMT2A (0.47) NAALAD2KMT2A
SCHEMBL19137473 0.66 ALDH1A1 (0.35) ALDH1A1POLB
SCHEMBL19137472 0.66 ALDH1A1 (0.35) ALDH1A1POLB
SCHEMBL25072168 0.65 FOLH1 (0.44) NAALAD2ALDH1A1

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-2023021003-A1 ANTIBODY AND ANTIGEN BINDING FRAGMENTS THEREOF PHILIP MORRIS PRODUCTS S.A. (CH) 2023-02-23 — — WO disclosed
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