SCHEMBL6562168

SCHEMBL6562168

Nc1ccc(NC2CCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.66
WNK1 Q9H4A3 2/20 0.59
ALDH1A1 P00352 6/20 0.57
MAPT P10636 5/20 0.57
LMNA P02545 5/20 0.57
MAPK1 P28482 2/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
HPGD P15428 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
TP53 P04637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL6138625 0.98 HCAR3 (0.64) HCAR3WNK1ALDH1A1MAPTLMNA
SCHEMBL13914705 0.98 HCAR3 (0.64) HCAR3WNK1ALDH1A1MAPTLMNA
SCHEMBL6138632 0.98 HCAR3 (0.64) HCAR3WNK1ALDH1A1MAPTLMNA
SCHEMBL23786250 0.82 MAPT (0.69) HCAR3WNK1ALDH1A1MAPTLMNA
SCHEMBL17048217 0.82 HCAR3 (0.66) HCAR3WNK1ALDH1A1MAPTLMNA
SCHEMBL8607686 0.82 MAPT (0.69) HCAR3WNK1ALDH1A1MAPTLMNA
SCHEMBL7479621 0.82 HCAR3 (0.66) HCAR3WNK1ALDH1A1MAPTLMNA
SCHEMBL9395556 0.81 HCAR3 (0.64) HCAR3WNK1ALDH1A1MAPTLMNA
SCHEMBL13500566 0.81 HCAR3 (0.64) HCAR3WNK1ALDH1A1MAPTLMNA
SCHEMBL7541568 0.81 HCAR3 (0.64) HCAR3WNK1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212031-B1 USE OF 2-NITRO-P-PHENYLENE DIAMINE DERIVATIVES AS DIRECT COLORANTS HENKEL KGAA (DE) 2004-08-04 EP claimed
EP-1212031-A1 USE OF 2-NITRO-P-PHENYLENE DIAMINE DERIVATIVES AS DIRECT COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-06-12 EP claimed
WO-2001021143-A1 USE OF 2-NITRO-P-PHENYLENE DIAMINE DERIVATIVES AS DIRECT COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-29 WO claimed
EP-1212031-B1 USE OF 2-NITRO-P-PHENYLENE DIAMINE DERIVATIVES AS DIRECT COLORANTS HENKEL KGAA (DE) 2004-08-04 EP disclosed
EP-1212031-A1 USE OF 2-NITRO-P-PHENYLENE DIAMINE DERIVATIVES AS DIRECT COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-06-12 EP disclosed
WO-2001021143-A1 USE OF 2-NITRO-P-PHENYLENE DIAMINE DERIVATIVES AS DIRECT COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-29 WO disclosed