SCHEMBL9622925

SCHEMBL9622925

Nc1ccc(Nc2ccc(N3CCCCC3)cc2OC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 15/20 0.46
CYP1A2 P05177 4/20 0.46
CYP2C19 P33261 4/20 0.46
CYP2C9 P11712 3/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 3/20 0.44
MAPK1 P28482 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL9622247 0.90 MAPT (0.52) ALDH1A1MAPTKMT2AMAPK1TDP1
SCHEMBL9622602 0.79 MAPT (0.53) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL9622901 0.79 L3MBTL1 (0.49) ALDH1A1MAPTHPGDKMT2AMAPK1
SCHEMBL127397 0.79 MAPT (0.57) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL9622919 0.78 MAPT (0.46) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL9622892 0.78 MAPT (0.56) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL6135331 0.77 MAPT (0.50) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL9623030 0.76 MAPT (0.52) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL9623039 0.74 L3MBTL1 (0.48) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL9622222 0.69 MEN1 (0.57) ALDH1A1LMNAMAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280187-B1 HAIR DYEING COMPOSITIONS WITH DIRECT-DYEING NITRO-DIPHENYL AMINE DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 1992-01-02 EP disclosed