SCHEMBL28196311

SCHEMBL28196311

O=[N+]([O-])c1ccccc1S.[Zn]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 5/20 0.50
ALDH1A1 P00352 8/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GPR35 Q9HC97 1/20 0.48
PTPRC P08575 1/20 0.47
S100A4 P26447 1/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
STAT6 P42226 1/20 0.44

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
SCHEMBL5476351 0.98 HSD17B10 (0.54) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL28593 0.98 HSD17B10 (0.54) HSD17B10TDP1ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL28887121 0.95 HSD17B10 (0.52) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL27803911 0.95 HSD17B10 (0.52) HSD17B10TDP1ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL10933924 0.93 HSD17B10 (0.50) HSD17B10TDP1ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL10933385 0.93 HSD17B10 (0.50) HSD17B10TDP1ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL10933380 0.93 HSD17B10 (0.50) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL28145870 0.90 ALDH1A1 (0.44) HSD17B10TDP1ALDH1A1KMT2AMEN1
Butane SCHEMBL27782325 0.87 HSD17B10 (0.50) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL28144844 0.86 ALDH1A1 (0.44) HSD17B10TDP1ALDH1A1KMT2AMEN1

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-103446724-B Golf 邓禄普体育用品株式会社 2018-01-19 CN disclosed