SCHEMBL29134947

SCHEMBL29134947

COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALPL P05186 11/20 0.58
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
GLA P06280 1/20 0.54
TRIM24 O15164 1/20 0.53
BRD4 O60885 2/20 0.52
BRD2 P25440 1/20 0.52

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
SCHEMBL12368216 0.86 ALPL (0.72) ALPLMEN1KMT2ASMN1; SMN2
SCHEMBL29134937 0.85 SLC22A12 (0.58) ALPLMEN1KMT2ASMN1; SMN2GLA
SCHEMBL15211896 0.85 ALPL (0.82) ALPL
SCHEMBL18530464 0.84 ALPL (0.70) ALPLMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL21760616 0.83 ALPL (0.62) ALPLMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL21761109 0.83 LMNA (0.73) ALPLMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3761698 0.82 ALPL (0.72) ALPLMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29134425 0.82 SLC22A12 (0.73) ALPLMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14018775 0.81 ALPL (0.59) ALPLMAPTKMT2ASMN1; SMN2GLA
SCHEMBL5962533 0.79 SMN1; SMN2 (0.71) ALPLMAPTMEN1KMT2ASMN1; SMN2

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-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed