SCHEMBL9499652

SCHEMBL9499652

CN1CCN(C)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 4/20 0.50
CASP1 P29466 1/20 0.50
CASP3 P42574 1/20 0.50
CASP4 P49662 1/20 0.50
CASP7 P55210 1/20 0.50
CASP9 P55211 1/20 0.50
CASP6 P55212 1/20 0.50
ALDH1A1 P00352 10/20 0.48
LMNA P02545 5/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
KMT2A Q03164 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45

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
SCHEMBL2061938 0.82 CASP1 (0.51) L3MBTL1GAACASP1CASP3CASP4
SCHEMBL2312739 0.81 ROCK1 (0.51) L3MBTL1GAACASP1CASP3CASP4
SCHEMBL3885369 0.81 SIRT2 (0.55) L3MBTL1GAACASP1CASP3CASP4
SCHEMBL21671871 0.80 SIRT6 (0.50) GAACASP1CASP3CASP4CASP7
SCHEMBL23768998 0.80 CASP1 (0.52) L3MBTL1GAACASP1CASP3CASP4
SCHEMBL3586952 0.78 ROCK1 (0.46) L3MBTL1GAACASP6ALDH1A1LMNA
SCHEMBL3481133 0.78 ALDH1A1 (0.55) L3MBTL1GAACASP1CASP3CASP4
SCHEMBL30781048 0.78 PIK3CD (0.47) L3MBTL1GAACASP1CASP3CASP4
SCHEMBL6427738 0.78 PIK3CD (0.47) L3MBTL1GAACASP1CASP3CASP4
SCHEMBL29451964 0.78 CASP1 (0.44) L3MBTL1GAACASP1CASP3CASP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353531-B1 HAIR DYE Henkel Kommanditgesellschaft auf Aktien (DE) 1993-04-21 EP disclosed
US-5089025-A HAIR DYE COMPOSITIONS AND CERTAIN 1,2,3,4-TETRAHYDRONITROQUINOXALINES USEFUL THEREIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-02-18 US disclosed
EP-0426719-A1 A HAIR DYE Henkel Kommanditgesellschaft auf Aktien (DE) 1991-05-15 EP disclosed
WO-1990001050-A1 A HAIR DYE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-02-08 WO disclosed
EP-0353531-A1 Hair dye Henkel Kommanditgesellschaft auf Aktien (DE) 1990-02-07 EP disclosed