SCHEMBL9301190

SCHEMBL9301190

CCC(C)S(=O)(=O)O.Cc1nc2c(ccc3ccccc32)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.48
MAPT P10636 6/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 4/20 0.41
HCRTR1 O43613 1/20 0.41
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 3/20 0.37
HTT P42858 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BLM P54132 1/20 0.36
AKR1B1 P15121 2/20 0.36
RECQL P46063 1/20 0.35

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
SCHEMBL9301396 0.94 XIAP (0.43) XIAPMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL9304343 0.85 XIAP (0.46) XIAPMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL9300511 0.84 RAB9A (0.40) XIAPMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL8408656 0.82 RAB9A (0.45) XIAPMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL9302756 0.82 RAB9A (0.38) MAPTRAB9ASMN1; SMN2LMNAHCRTR1
SCHEMBL2170681 0.80 RAB9A (0.53) XIAPMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL29843187 0.80 RAB9A (0.53) XIAPMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL4139521 0.78 RAB9A (0.51) XIAPMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL9303454 0.78 TDP1 (0.38) MAPTRAB9ASMN1; SMN2LMNAKMT2A
Iodomethane SCHEMBL9193628 0.77 RAB9A (0.50) XIAPMAPTRAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6239845-A None JP disclosed
JP-H06239845-A PRODUCTION OF ALKYLSULFONATE DERIVATIVE FUJI PHOTO FILM CO LTD 1994-08-30 JP disclosed
US-5326876-A Process for preparing an alkyl sulfonate derivative FUJI PHOTO FILM CO., LTD. (JP) 1994-07-05 US disclosed