SCHEMBL8769375

SCHEMBL8769375

CC(C)(C)c1cc(C(=O)Cl)c([N+](=O)[O-])c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GALR3 O60755 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 7/20 0.37
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
NR1H4 Q96RI1 3/20 0.33
GPR35 Q9HC97 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
GLA P06280 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL8768833 0.86 PKM (0.44) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL4915349 0.81 HTT (0.47) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL28591568 0.75 PKM (0.49) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL28175612 0.75 NR5A2 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL5383012 0.75 NR5A2 (0.54) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL14681600 0.73 ALDH1A1 (0.41) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL12669724 0.72 ALDH1A1 (0.43) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2230167 0.72 TDP1 (0.52) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL398817 0.71 ALDH1A1 (0.39) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL8410427 0.70 GABRA1 (0.44) HTTMEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659738-B1 N-(Carbonyl, carbonimidoyl, carbonothioyl) sulfonamide charge control agents and toners and developers EASTMAN KODAK CO (US) 1997-09-10 EP disclosed
US-5616797-A USED IN ELECTROPHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1997-04-01 US disclosed
EP-0659738-A1 N-(Carbonyl, carbonimidoyl, carbonothioyl) sulfonamide charge control agents and toners and developers EASTMAN KODAK COMPANY (US) 1995-06-28 EP disclosed
US-5405727-A Electrophotography EASTMAN KODAK COMPANY (US) 1995-04-11 US disclosed