SCHEMBL6908652

SCHEMBL6908652

O=C(CS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 1.00
PKM P14618 1/20 0.76
RECQL P46063 2/20 0.59
ALDH1A1 P00352 3/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA9 Q16790 1/20 0.55
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
GSK3B P49841 1/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL28538245 0.95 HSD11B1 (0.91) HSD11B1PKMRECQLALDH1A1NPC1
SCHEMBL30008266 0.85 HSD11B1 (0.74) HSD11B1PKMALDH1A1CES2CES1
SCHEMBL28538242 0.84 HSD11B1 (0.72) HSD11B1PKMRECQLCA1CA2
SCHEMBL452973 0.82 HSD11B1 (0.77) HSD11B1RECQLALDH1A1NPC1RAB9A
SCHEMBL8415518 0.80 HSD11B1 (0.67) HSD11B1PKMCA1CA2CA4
SCHEMBL29609513 0.80 HSD11B1 (0.74) HSD11B1RECQLALDH1A1NPC1RAB9A
Ammonia Solution, Strong SCHEMBL8416593 0.79 HSD11B1 (0.65) HSD11B1PKMCA1CA2CA4
SCHEMBL16660516 0.79 HSD11B1 (0.73) HSD11B1RECQLALDH1A1NPC1RAB9A
SCHEMBL29236675 0.79 HSD11B1 (0.73) HSD11B1RECQLALDH1A1NPC1RAB9A
SCHEMBL6202982 0.78 HSD11B1 (1.00) HSD11B1PKMRECQLALDH1A1NPC1

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-6767926-B1 Method for protecting normal cells from cytotoxicity of chemotherapeutic agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-07-27 US disclosed