SCHEMBL29796121

SCHEMBL29796121

Cc1cc(C)c(Cl)c(C)c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
CYP3A4 P08684 6/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRM1 P11229 1/20 0.40
ALOX15 P16050 1/20 0.40
MAOA P21397 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
POLB P06746 2/20 0.39
CD44 P16070 1/20 0.39
MAPK1 P28482 1/20 0.38
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 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
SCHEMBL7289038 1.00 ALDH1A1 (0.61) ALDH1A1GAAMAPTCYP3A4TSHR
SCHEMBL6352273 0.82 ALDH1A1 (0.48) ALDH1A1GAAMAPTCYP3A4TSHR
SCHEMBL11795237 0.82 ALDH1A1 (0.59) ALDH1A1GAAMAPTCYP3A4TSHR
SCHEMBL23213487 0.82 ALDH1A1 (0.59) ALDH1A1GAAMAPTCYP3A4TSHR
SCHEMBL27901973 0.82 ALDH1A1 (0.48) ALDH1A1GAAMAPTCYP3A4TSHR
SCHEMBL23240027 0.81 ALDH1A1 (0.46) ALDH1A1GAAMAPTCYP3A4TSHR
SCHEMBL1003476 0.80 CYP3A4 (0.50) ALDH1A1GAAMAPTCYP3A4TSHR
SCHEMBL262306 0.80 ALDH1A1 (0.56) ALDH1A1GAAMAPTCYP3A4TSHR
SCHEMBL9493725 0.78 ALDH1A1 (0.96) ALDH1A1GAAMAPTCYP3A4TSHR
SCHEMBL21631556 0.78 ALDH1A1 (0.45) ALDH1A1GAAMAPTCYP3A4TSHR

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