SCHEMBL29185352

SCHEMBL29185352

[2H]C1([2H])COc2ccc(Br)c(Cl)c21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
MAOB P27338 4/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHBP P24387 2/20 0.30
CRHR2 Q13324 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30

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
SCHEMBL30949613 0.80 HTR2A (0.43) HTR2AHTR2CHTR2BLMNAHTT
SCHEMBL20741822 0.80 HTR2A (0.43) HTR2AHTR2CHTR2BLMNAHTT
SCHEMBL30364067 0.79 HTR2A (0.40) HTR2AHTR2CHTR2B
SCHEMBL29185346 0.79 HTR2A (0.40) HTR2AHTR2CHTR2B
SCHEMBL19765002 0.74 LMNA (0.39) HTR2AHTR2CHTR2BLMNAHTT
SCHEMBL30364094 0.71 ITGB2 (0.44) LMNAHTTITGB2ICAM1ITGAL
SCHEMBL10159205 0.67 MAPT (0.39) HTR2AHTR2CHTR2BLMNAHTT
SCHEMBL29185355 0.66
SCHEMBL25208990 0.64 HTR2C (0.36) HTR2AHTR2CHTR2BLMNAHTT
SCHEMBL25064286 0.63 HTR2A (0.35) HTR2AHTR2CHTR2B

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
CN-116234797-A Heterocyclic inhibitors of TEAD for the treatment of cancer 基因泰克公司 2023-06-06 CN disclosed