SCHEMBL30358124

SCHEMBL30358124

O=c1c2cnn(C3COC3)c2nc(SCc2cccc(F)c2)n1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 18/20 1.00
ALDH1A2 O94788 15/20 1.00
ALDH1A3 P47895 14/20 1.00

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
SCHEMBL19746185 1.00 ALDH1A1 (1.00) ALDH1A1ALDH1A2ALDH1A3
SCHEMBL19746509 0.88 ALDH1A1 (1.00) ALDH1A1ALDH1A2ALDH1A3
SCHEMBL30358111 0.88 ALDH1A1 (1.00) ALDH1A1ALDH1A2ALDH1A3
SCHEMBL30358155 0.88 ALDH1A1 (1.00) ALDH1A1ALDH1A2ALDH1A3
SCHEMBL21271727 0.88 ALDH1A1 (1.00) ALDH1A1ALDH1A2ALDH1A3
SCHEMBL21271740 0.83 ALDH1A1 (1.00) ALDH1A1ALDH1A2ALDH1A3
SCHEMBL19746114 0.82 ALDH1A1 (1.00) ALDH1A1ALDH1A2ALDH1A3
SCHEMBL30358120 0.82 ALDH1A1 (1.00) ALDH1A1ALDH1A2ALDH1A3
SCHEMBL19746552 0.81 ALDH1A1 (0.79) ALDH1A1ALDH1A2ALDH1A3
SCHEMBL19745626 0.81 ALDH1A1 (1.00) ALDH1A1ALDH1A2ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023059884-A1 ALDH INHIBITORS TO PROMOTE IMMUNE CELL EXPANSION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-04-13 WO claimed
WO-2023059884-A1 ALDH INHIBITORS TO PROMOTE IMMUNE CELL EXPANSION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-04-13 WO disclosed