SCHEMBL30865951

SCHEMBL30865951

O=C(NC(=S)N1CCCC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.72
GAA P10253 1/20 0.68
ALDH1A1 P00352 2/20 0.67
HPGD P15428 1/20 0.64
KMT2A Q03164 1/20 0.62
POLB P06746 1/20 0.62

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
SCHEMBL13836513 0.98 ALOX5 (0.72) ALOX5GAAALDH1A1HPGDKMT2A
SCHEMBL3435134 0.88 ALOX5 (0.66) ALOX5ALDH1A1HPGDKMT2APOLB
SCHEMBL13836598 0.85 ALOX5 (0.67) ALOX5GAAALDH1A1KMT2APOLB
SCHEMBL12069952 0.85 KMT2A (0.84) ALOX5ALDH1A1KMT2APOLB
SCHEMBL12488830 0.85 ALOX5 (0.71) ALOX5ALDH1A1KMT2APOLB
SCHEMBL2153286 0.84 ALOX5 (1.00) ALOX5ALDH1A1KMT2APOLB
SCHEMBL2153023 0.83 MEN1 (0.76) ALOX5ALDH1A1HPGDKMT2APOLB
SCHEMBL2153798 0.83 KMT2A (0.78) ALOX5ALDH1A1HPGDKMT2APOLB
SCHEMBL2153314 0.83 ALDH1A1 (0.71) ALOX5ALDH1A1HPGDKMT2APOLB
SCHEMBL3435126 0.83 ALOX5 (0.63) ALOX5GAAALDH1A1HPGDKMT2A

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-2024028533-A1 2-(PYRROLIDIN-1-YL)THIAZOLE COMPOUNDS AND THEIR USE AS ANTIBIOTIC AGENTS UNIVERSIDAD DE ALICANTE (ES) 2024-02-08 WO disclosed