SCHEMBL25628993

SCHEMBL25628993

CC(C)Cc1cncc(C[SH](C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL14557688 0.85 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL13534147 0.78 GPR55 (0.35) GABRA1GABRB2
SCHEMBL9927087 0.76 CYP11B1 (0.38) GABRA1GABRB2
SCHEMBL14983862 0.74 CYP11B1 (0.39)
SCHEMBL18635707 0.73 CTSD (0.33) GABRA1GABRB2
SCHEMBL27209028 0.73 NOS1 (0.34) GABRA1GABRB2
SCHEMBL22701655 0.73 PRMT6 (0.37) GABRA1GABRB2
SCHEMBL30846835 0.73 NOS1 (0.34) GABRA1GABRB2
SCHEMBL24252518 0.72 MAPT (0.38) GABRA1GABRB2
SCHEMBL24533969 0.72 NOS1 (0.36) GABRA1GABRB2

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-2023111350-A2 CARBONIC ANHYDRASE IX LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-06-22 WO disclosed