SCHEMBL8612192

SCHEMBL8612192

CC(=O)c1ccc(NN)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 2/20 0.57
GAA P10253 1/20 0.57
HCAR3 P49019 7/20 0.56
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 2/20 0.52
PDE7A Q13946 1/20 0.51
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL973813 0.85 HCAR3 (0.77) MAPTKMT2AALDH1A1HTTHCAR3
SCHEMBL2426051 0.85 HCAR3 (0.71) KMT2ALMNAHCAR3MEN1
SCHEMBL9631245 0.84 VCAM1 (0.59) MAPTKMT2AALDH1A1LMNAHTT
SCHEMBL2643864 0.84 KMT2A (0.68) MAPTKMT2AALDH1A1HTTHCAR3
SCHEMBL29793669 0.84 KMT2A (0.68) MAPTKMT2AALDH1A1HTTHCAR3
SCHEMBL6462358 0.81 HCAR3 (0.68) MAPTKMT2AALDH1A1LMNAHTT
SCHEMBL9630291 0.80 MAPK1 (0.62) MAPTKMT2AALDH1A1LMNAHTT
SCHEMBL11690925 0.79 CASP6 (0.69) MAPTKMT2AALDH1A1HCAR3POLB
SCHEMBL11341363 0.79 HCAR3 (0.79) MAPTKMT2AALDH1A1LMNAHTT
SCHEMBL263311 0.78 LMNA (0.72) MAPTKMT2AALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1666988-A Environmental protection reactive dyeing and use thereof EVERLIGHT USA INC (US) 2005-09-14 CN disclosed
EP-0841329-A1 Method of synthesizing tert-amido-substituted 2-(2'-hydroxyphenyl) benzotriazole compounds in a onestep process EASTMAN KODAK COMPANY (US) 1998-05-13 EP disclosed
US-5739348-A NOBLE METAL CATALYZED HYDROGENATION OR NONCATALYTIC REDUCTIVE RING CLOSURE AND DEACYLATION OF SPECIFIED AZO DYE EASTMAN KODAK COMPANY (US) 1998-04-14 US disclosed