SCHEMBL9301396

SCHEMBL9301396

CCC(C)S(=O)(=O)O.Cc1nc2c(ccc3c4ccccc4ccc32)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.43
RAB9A P51151 6/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 4/20 0.39
HCRTR1 O43613 1/20 0.39
MEN1 O00255 7/20 0.36
KMT2A Q03164 7/20 0.36
POLB P06746 1/20 0.36
HTT P42858 4/20 0.35
ALDH1A1 P00352 2/20 0.34
BLM P54132 1/20 0.34
RECQL P46063 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKR1B1 P15121 1/20 0.32

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
SCHEMBL9301190 0.94 XIAP (0.48) XIAPRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9300511 0.85 RAB9A (0.40) XIAPRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9302756 0.84 RAB9A (0.38) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL9300730 0.81 RAB9A (0.57) XIAPRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9304343 0.80 XIAP (0.46) XIAPRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9303454 0.78 TDP1 (0.38) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL8408656 0.77 RAB9A (0.45) XIAPRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2170681 0.74 RAB9A (0.53) XIAPRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL29843187 0.74 RAB9A (0.53) XIAPRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4139521 0.72 RAB9A (0.51) XIAPRAB9ANPC1MAPTSMN1; 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
US-5326876-A Process for preparing an alkyl sulfonate derivative FUJI PHOTO FILM CO., LTD. (JP) 1994-07-05 US disclosed