SCHEMBL9300511

SCHEMBL9300511

CCC(C)S(=O)(=O)O.Cc1nc2c(ccc3c(S(=O)(=O)O)cccc32)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
CYP1A2 P05177 2/20 0.39
TTR P02766 1/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
HCRTR1 O43613 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
XIAP P98170 1/20 0.33
PKM P14618 1/20 0.32
HTT P42858 3/20 0.32
BLM P54132 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD11B1 P28845 1/20 0.31
RECQL P46063 1/20 0.31
NSD2 O96028 1/20 0.31
POLB P06746 1/20 0.31
IDE P14735 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
SCHEMBL9300244 0.88 RAB9A (0.49) RAB9ANPC1CYP1A2TTRMAPT
SCHEMBL9301396 0.85 XIAP (0.43) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL9302756 0.85 RAB9A (0.38) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL9301190 0.84 XIAP (0.48) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL9303454 0.74 TDP1 (0.38) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL27872889 0.73 PKLR (0.39) RAB9ANPC1TTRMAPTSMN1; SMN2
SCHEMBL28551546 0.73 TTR (0.51) CYP1A2TTRSMN1; SMN2LMNAMEN1
Hydrochloric Acid SCHEMBL28217165 0.72 PKLR (0.39) RAB9ANPC1TTRMAPTSMN1; SMN2
SCHEMBL9304343 0.70 XIAP (0.46) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL17281460 0.68 NPC1 (0.72) RAB9ANPC1MAPTSMN1; SMN2LMNA

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
US-5326876-A Process for preparing an alkyl sulfonate derivative FUJI PHOTO FILM CO., LTD. (JP) 1994-07-05 US disclosed