SCHEMBL30197589

SCHEMBL30197589

Cc1cc(B2OC(C)(C)C(C)(C)O2)c2c(c1)C(=O)N(C)CC2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM5 P41594 3/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.30
RECQL P46063 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
SCHEMBL23952250 1.00 MEN1 (0.34) MEN1KMT2AGRM5ALDH1A1SMN1; SMN2
SCHEMBL23925455 0.86 POLB (0.36) MEN1KMT2AGRM5POLBRECQL
SCHEMBL30197563 0.86 POLB (0.36) MEN1KMT2AGRM5POLBRECQL
SCHEMBL23977617 0.83
SCHEMBL22306172 0.74 MEN1 (0.42) MEN1KMT2AGRM5ALDH1A1SMN1; SMN2
SCHEMBL23925429 0.71 MEN1 (0.41) MEN1KMT2AGRM5ALDH1A1SMN1; SMN2
SCHEMBL30197965 0.71 MEN1 (0.41) MEN1KMT2AGRM5ALDH1A1SMN1; SMN2
SCHEMBL30198406 0.71 MEN1 (0.41) MEN1KMT2AGRM5ALDH1A1SMN1; SMN2
SCHEMBL23952301 0.71 MEN1 (0.41) MEN1KMT2AGRM5ALDH1A1SMN1; SMN2
SCHEMBL2043461 0.69 MEN1 (0.43) MEN1KMT2AGRM5

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-4135691-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-02-22 EP disclosed