SCHEMBL29796161

SCHEMBL29796161

Cc1cc(C)c(N=C=O)c(C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CYP3A4 P08684 3/20 0.36
TRPA1 O75762 1/20 0.36
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CHRM1 P11229 1/20 0.32
ALOX15 P16050 1/20 0.32
MAOA P21397 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 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
SCHEMBL23213549 1.00 GABRA1 (0.38) GABRA1GABRB2CYP3A4TRPA1MAPK1
SCHEMBL23240060 0.86 GABRA1 (0.37) GABRA1GABRB2CYP3A4TRPA1MAPK1
SCHEMBL23213592 0.86 GABRA1 (0.39) GABRA1GABRB2CYP3A4TRPA1MAPK1
SCHEMBL29795909 0.86 GABRA1 (0.39) GABRA1GABRB2CYP3A4TRPA1MAPK1
SCHEMBL441816 0.85 CYP3A4 (0.43) GABRA1GABRB2CYP3A4TRPA1MAPK1
SCHEMBL23883401 0.85 CYP3A4 (0.42) GABRA1GABRB2CYP3A4TRPA1MAPK1
SCHEMBL16707385 0.81 CYP3A4 (0.40) GABRA1GABRB2CYP3A4TRPA1
SCHEMBL4306324 0.78 CYP3A4 (0.43) GABRA1GABRB2CYP3A4TRPA1MAPK1
SCHEMBL14493733 0.78 CYP3A4 (0.38) GABRA1GABRB2CYP3A4TRPA1
SCHEMBL19138736 0.77 CYP3A4 (0.42) GABRA1GABRB2CYP3A4TRPA1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313047-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS Monte Rosa Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2022200857-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2022-09-29 WO disclosed
EP-4041231-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2022-08-17 EP disclosed