SCHEMBL24893385

SCHEMBL24893385

CCC/N=C\C=C(/C)CBr

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11184951 0.78
SCHEMBL22167664 0.76 CES1 (0.33) ALDH1A1KMT2A
SCHEMBL16550173 0.71 ALDH1A1 (0.37) ALDH1A1KMT2A
SCHEMBL19874049 0.71 ALDH1A1 (0.37) ALDH1A1KMT2A
SCHEMBL16512147 0.71 ALDH1A1 (0.37) ALDH1A1KMT2A
SCHEMBL23890448 0.70
SCHEMBL21005505 0.68 PTPN1 (0.31)
SCHEMBL19276437 0.68
SCHEMBL12920080 0.66 TRPA1 (0.37)
SCHEMBL4688312 0.65

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
EP-4119561-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS Corcept Therapeutics Incorporated (US) 2023-01-18 EP disclosed