SCHEMBL8779825

SCHEMBL8779825

O=[N+]([O-])c1ccc(SC(Cl)Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 2/20 0.45
ACHE P22303 1/20 0.45
TRPA1 O75762 2/20 0.44
LMNA P02545 1/20 0.43
IDO1 P14902 1/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
CES1 P23141 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
NR2F2 P24468 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8484991 0.91 MAPT (0.43) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL3931538 0.79 MAPT (0.50) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL10507357 0.79 MAPT (0.50) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL7297638 0.78 MAPT (0.48) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL7353270 0.76 ALDH1A1 (0.49) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL856512 0.76 MAPT (0.55) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL223594 0.75 MEN1 (0.59) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL4163474 0.75 MAPT (0.79) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL3328543 0.75 MAPT (0.79) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL11865581 0.75 TRPA1 (0.45) MAPTMEN1KMT2AALDH1A1TRPA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 EP disclosed
EP-0742201-A1 PROCESS FOR PRODUCING AROMATIC OR HETEROAROMATIC SULFUR COMPOUNDS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-11-13 EP disclosed