SCHEMBL28273654

SCHEMBL28273654

Cc1ccccc1S(=O)(=O)NCCSc1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MAPT P10636 2/20 0.62
ALDH1A1 P00352 9/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MEN1 O00255 2/20 0.62
PKM P14618 1/20 0.62
USP2 O75604 1/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARG P37231 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL17633933 0.82 KMT2A (0.77) KMT2AMAPTALDH1A1L3MBTL1MEN1
SCHEMBL4616670 0.80 MEN1 (0.56) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL29393290 0.76 ALDH1A1 (1.00) KMT2AMAPTALDH1A1L3MBTL1MEN1
SCHEMBL9307678 0.74 ALDH1A1 (0.56) KMT2AALDH1A1MEN1PKMUSP2
SCHEMBL11174127 0.72 TDP1 (0.64) KMT2AALDH1A1L3MBTL1MEN1PKM
SCHEMBL28273653 0.72 ALDH1A1 (0.43) KMT2AMAPTALDH1A1L3MBTL1MEN1
SCHEMBL32664495 0.72 CA12 (0.61) ALDH1A1L3MBTL1PKMSMN1; SMN2TDP1
SCHEMBL634315 0.72 CA12 (0.61) ALDH1A1L3MBTL1PKMSMN1; SMN2TDP1
SCHEMBL411161 0.71 SFRP1 (0.66) ALDH1A1L3MBTL1HTTSMN1; SMN2TDP1
SCHEMBL28513233 0.70 CYP3A4 (0.54) KMT2AALDH1A1MEN1PKMLMNA

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-109310654-A Particle comprising sulfur-containing compound 诺瓦生命科学有限公司 2019-02-05 CN disclosed