SCHEMBL31344516

SCHEMBL31344516

[O-][S+](Cc1ccccc1)c1ccc(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
LMNA P02545 3/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
MAOB P27338 1/20 0.30
AOC3 Q16853 1/20 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
SCHEMBL31344513 1.00 GBA1 (0.38) GBA1ALDH1A1KDM4ENPSR1SMN1; SMN2
SCHEMBL10977034 0.79 GBA1 (0.33) GBA1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15051726 0.75 GBA1 (0.43) GBA1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL3793358 0.75 FABP1 (0.39) ALDH1A1KDM4ENPSR1LMNAHTT
SCHEMBL19385924 0.75 FABP1 (0.39) ALDH1A1KDM4ENPSR1LMNAHTT
SCHEMBL31344512 0.75 POLB (0.52) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL28472082 0.73 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9954269 0.72 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL16792389 0.71 GBA1 (0.33) GBA1ALDH1A1KDM4E
SCHEMBL9953036 0.70 MAPT (0.36) MAPTMAOB

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-119350233-A Preparation method of aryl sulfonic acid compound 上海麦克林生化科技股份有限公司 2025-01-24 CN disclosed