SCHEMBL22014390

SCHEMBL22014390

CC(C)c1cc(C#N)nc(C(C)C)c1Br

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34

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
SCHEMBL21625483 0.82 KDM4E (0.33)
SCHEMBL22021485 0.80 PIK3CG (0.31)
SCHEMBL20681209 0.72 GABRA1 (0.33) GABRA1GABRB1
SCHEMBL13515892 0.72 NQO1 (0.36)
SCHEMBL12641373 0.70 HTT (0.33)
SCHEMBL29687276 0.70 CAMKK2 (0.34)
SCHEMBL20698794 0.70 CAMKK2 (0.34)
SCHEMBL25138915 0.69 HTT (0.34)
SCHEMBL22014868 0.69 TDP1 (0.33) GABRA1GABRB1
SCHEMBL20681216 0.69 GAA (0.33) GABRA1GABRB1

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-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed