SCHEMBL25003083

SCHEMBL25003083

C=C(CC)/N=c1\scc(C(=C)N(C)C)n1-c1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.35
GAA P10253 4/20 0.35
SI P14410 4/20 0.35
MGAM2 Q2M2H8 4/20 0.35
ALDH1A1 P00352 1/20 0.32
APLNR P35414 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
SCHEMBL25001957 0.77 GAA (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL23727063 0.74 GAA (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL23727066 0.74 GAA (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL30130803 0.73 ALDH1A1 (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL23727068 0.69 ALDH1A1 (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL23727067 0.69 ALDH1A1 (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL23727277 0.68 ALDH1A1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL30130801 0.68 ALDH1A1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL23749759 0.67 CYP1A2 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL25001956 0.67 ALDH1A1 (0.43) MGAMGAASIMGAM2ALDH1A1

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-2023015156-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION HUDSPETH A JAMES (US) 2023-02-09 WO disclosed