SCHEMBL8768833

SCHEMBL8768833

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
GALR3 O60755 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
RXRB P28702 2/20 0.39
TSHR P16473 2/20 0.38
NR5A2 O00482 1/20 0.37
NR5A1 Q13285 1/20 0.37
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL28591568 0.90 PKM (0.49) PKMHTTMEN1GALR3KMT2A
SCHEMBL8769375 0.86 HTT (0.40) PKMHTTMEN1GALR3KMT2A
SCHEMBL9747679 0.84 KMT2A (0.45) PKMHTTMEN1GALR3KMT2A
SCHEMBL4915349 0.82 HTT (0.47) HTTMEN1GALR3KMT2ASMN1; SMN2
SCHEMBL557154 0.75 GLRA3 (0.41) PKMHTTMEN1GALR3KMT2A
SCHEMBL14681600 0.75 ALDH1A1 (0.41) HTTMEN1GALR3KMT2ASMN1; SMN2
SCHEMBL132940 0.74 NR5A2 (0.55) HTTMEN1GALR3KMT2ASMN1; SMN2
SCHEMBL2230167 0.73 TDP1 (0.52) HTTMEN1GALR3KMT2ASMN1; SMN2
SCHEMBL9019692 0.73 NR5A2 (0.54) HTTMEN1GALR3KMT2ASMN1; SMN2
SCHEMBL3854443 0.73 NR5A2 (0.54) HTTMEN1GALR3KMT2ASMN1; SMN2

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