SCHEMBL31279422

SCHEMBL31279422

O=S(=O)(c1ccccc1)n1ccc2c(Br)cnc(Cl)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 17/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ MET P08581 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTR1A P08908 2/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR1F P30939 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37

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
SCHEMBL14321207 1.00 HTR6 (0.42) HTR6DRD2HTR2AMETCYP2C19
SCHEMBL2128761 0.87 ABL1 (0.45) HTR6ALDH1A1HTTABL1BCR
SCHEMBL16916911 0.84 PIK3C3 (0.48) HTR6DRD2HTR2AMETCYP2C19
SCHEMBL2369536 0.84 HTR6 (0.51) HTR6DRD2HTR2AMETCYP2C19
SCHEMBL16923796 0.81 HTR6 (0.48) HTR6DRD2HTR2AMETCYP2C19
SCHEMBL19278216 0.80 ABL1 (0.36) HTR6ALDH1A1LMNAHTTABL1
SCHEMBL23462051 0.79 HTR6 (0.47) HTR6DRD2HTR2AMETCYP2C19
SCHEMBL3723254 0.78 CYP2C19 (0.48) HTR6DRD2HTR2AMETCYP2C19
SCHEMBL26912429 0.77 HTR6 (0.43) HTR6DRD2HTR2AMEN1ALDH1A1
SCHEMBL2216316 0.76 HTR6 (0.51) HTR6DRD2HTR2AMETMEN1

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-119161324-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2024-12-20 — — CN disclosed
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