SCHEMBL6138625

SCHEMBL6138625

Nc1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.64
MAPT P10636 6/20 0.60
LMNA P02545 5/20 0.60
ALDH1A1 P00352 5/20 0.60
WNK1 Q9H4A3 2/20 0.60
MAPK1 P28482 2/20 0.60
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
L3MBTL1 Q9Y468 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 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
SCHEMBL6138632 1.00 HCAR3 (0.64) HCAR3MAPTLMNAALDH1A1WNK1
SCHEMBL13914705 1.00 HCAR3 (0.64) HCAR3MAPTLMNAALDH1A1WNK1
SCHEMBL6562168 0.98 HCAR3 (0.66) HCAR3MAPTLMNAALDH1A1WNK1
SCHEMBL23786250 0.84 MAPT (0.69) HCAR3MAPTLMNAALDH1A1WNK1
SCHEMBL8607686 0.84 MAPT (0.69) HCAR3MAPTLMNAALDH1A1WNK1
SCHEMBL7541568 0.82 HCAR3 (0.64) HCAR3MAPTLMNAALDH1A1WNK1
SCHEMBL16538351 0.82 HCAR3 (0.64) HCAR3MAPTLMNAALDH1A1WNK1
SCHEMBL9395556 0.82 HCAR3 (0.64) HCAR3MAPTLMNAALDH1A1WNK1
SCHEMBL13500566 0.82 HCAR3 (0.64) HCAR3MAPTLMNAALDH1A1WNK1
SCHEMBL22879210 0.82 HCAR3 (0.60) HCAR3MAPTLMNAALDH1A1WNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212032-B1 NEW DIRECT HAIR COLORANTS HENKEL KGAA (DE) 2005-05-04 EP claimed
US-6814761-B1 Direct hair colorants HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-11-09 US claimed
EP-1212032-A2 NEW DIRECT HAIR COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-06-12 EP claimed
WO-2001021144-A2 NEW DIRECT HAIR COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-29 WO claimed
EP-1212032-B1 NEW DIRECT HAIR COLORANTS HENKEL KGAA (DE) 2005-05-04 EP disclosed
US-6814761-B1 Direct hair colorants HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-11-09 US disclosed
US-6814761-B1 Direct hair colorants HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-11-09 US disclosed
EP-1212032-A2 NEW DIRECT HAIR COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-06-12 EP disclosed
WO-2001021144-A2 NEW DIRECT HAIR COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-29 WO disclosed