SCHEMBL25826837

SCHEMBL25826837

CN[C@@H](C)COCc1nn(C)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL25826836 1.00 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL25826829 1.00 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL31304946 0.78 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL25826841 0.76 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL15883822 0.74 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL15884297 0.72 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL38659175 0.70 TSHR (0.47) ALDH1A1SMN1; SMN2
SCHEMBL31465655 0.69 NPSR1 (0.34) ALDH1A1
SCHEMBL21835462 0.69 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL23850108 0.69 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2

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-2023133375-A1 MACROCYCLIC COMPOUNDS AND USE AS KINASE INHIBITORS BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-07-13 WO disclosed