SCHEMBL7085458

SCHEMBL7085458

Nc1ccc(N)c(-c2ccncc2[N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
TDP1 Q9NUW8 4/20 0.53
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 2/20 0.53
TSHR P16473 3/20 0.49
MAPT P10636 5/20 0.46
RECQL P46063 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
TLR9 Q9NR96 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7089017 0.88 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL6572263 0.78 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL7085653 0.77 AOC1 (0.39) ALDH1A1TDP1CYP3A4TSHRMAPT
Hydrochloric Acid SCHEMBL6574207 0.76 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL7755914 0.76 TDP1 (0.62) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL1085604 0.75 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL7085966 0.75 GAA (0.43) ALDH1A1CYP3A4TSHRMAPTMAPK1
SCHEMBL29618079 0.75 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15TSHR
Methane SCHEMBL28322282 0.73 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL5685368 0.73 ALOX15 (0.54) ALDH1A1TDP1CYP3A4ALOX15TSHR

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-1052252-B1 Diaminobenzene derivatives and dyeing preparations containing them WELLA AG (DE) 2003-08-06 EP claimed
US-6461388-B1 Diaminobenzene derivative compounds and dye compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US claimed
EP-1052252-A1 Diaminobenzene derivatives and dyeing preparations containing them Wella Aktiengesellschaft (DE) 2000-11-15 EP claimed
EP-1052252-B1 Diaminobenzene derivatives and dyeing preparations containing them WELLA AG (DE) 2003-08-06 EP disclosed
US-6461388-B1 Diaminobenzene derivative compounds and dye compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
EP-1052252-A1 Diaminobenzene derivatives and dyeing preparations containing them Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed