SCHEMBL6573228

SCHEMBL6573228

O=[N+]([O-])c1ccc(N2CCCC2)c(-c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
LMNA P02545 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPT P10636 3/20 0.61
POLB P06746 2/20 0.61
HTT P42858 2/20 0.61
ALDH1A1 P00352 8/20 0.59
KMT2A Q03164 2/20 0.57
HTR7 P34969 1/20 0.55
NPBWR1 P48145 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 1/20 0.53
PTGS2 P35354 2/20 0.52
RAB9A P51151 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL282589 0.89 ALDH1A1 (0.62) GAALMNASMN1; SMN2MAPTPOLB
SCHEMBL328301 0.89 HTR7 (0.71) GAALMNASMN1; SMN2MAPTPOLB
SCHEMBL6140285 0.80 POLB (0.63) GAALMNASMN1; SMN2MAPTPOLB
SCHEMBL6391559 0.80 PTGS2 (0.69) LMNAMAPTPOLBALDH1A1KMT2A
SCHEMBL28207049 0.80 PTGS2 (0.73) LMNAMAPTPOLBALDH1A1KMT2A
SCHEMBL25405568 0.80 LMNA (0.63) GAALMNASMN1; SMN2MAPTPOLB
SCHEMBL31121057 0.80 LMNA (0.63) GAALMNASMN1; SMN2MAPTPOLB
SCHEMBL6140444 0.79 POLB (0.55) GAALMNASMN1; SMN2MAPTPOLB
SCHEMBL13581260 0.79 GAA (0.51) GAALMNASMN1; SMN2MAPTPOLB
SCHEMBL14707195 0.78 ALDH1A1 (0.57) GAALMNASMN1; SMN2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed