SCHEMBL19278216

SCHEMBL19278216

CS(=O)(=O)n1ccc2c(Br)cnc(Cl)c21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ PIK3C3 Q8NEB9 5/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL16916948 0.83 PIK3C3 (0.48) ABL1BCRPIK3C3HTR6
SCHEMBL2128761 0.81 ABL1 (0.45) ABL1BCRHTR6ALDH1A1HTT
SCHEMBL14321207 0.80 HTR6 (0.42) ABL1BCRHTR6ALDH1A1LMNA
SCHEMBL31279422 0.80 HTR6 (0.42) ABL1BCRHTR6ALDH1A1LMNA
SCHEMBL16923725 0.79 PIK3C3 (0.34) PIK3C3HTR6
SCHEMBL16923795 0.79 PIK3C3 (0.37) PIK3C3HTR6HTT
SCHEMBL16923720 0.73 PIK3C3 (0.46) PIK3C3HTR6
SCHEMBL16475117 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL19278217 0.71 ALDH1A1 (0.35) ABL1BCRALDH1A1LMNAHTT
SCHEMBL2369513 0.70 PARP1 (0.36) —

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-2017143291-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2017-08-24 — — WO disclosed
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