SCHEMBL6574685

SCHEMBL6574685

COCCNc1ccc([N+](=O)[O-])cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
HCAR3 P49019 1/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
CYP19A1 P11511 2/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
KMT2A Q03164 3/20 0.46
PTGS2 P35354 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CRHBP P24387 1/20 0.46

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
SCHEMBL6571966 0.84 KMT2A (0.64) LMNAKDM4ETDP1TSHRALDH1A1
SCHEMBL10696913 0.83 POLB (0.50) LMNATDP1TSHRALDH1A1MAPT
SCHEMBL10139198 0.81 MAPT (0.62) LMNAHCAR3KDM4ETDP1TSHR
SCHEMBL5834698 0.80 HPSE (0.59) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL2716434 0.80 LMNA (0.70) LMNAHCAR3KDM4ETDP1ALDH1A1
SCHEMBL6559600 0.80 ALDH1A1 (0.67) LMNAHCAR3KDM4ETDP1TSHR
SCHEMBL9681150 0.79 LMNA (0.60) LMNAHCAR3KDM4ETDP1TSHR
SCHEMBL9680671 0.79 ALDH1A1 (0.58) LMNAHCAR3KDM4EALDH1A1MAPT
SCHEMBL2708919 0.78 HCAR3 (0.65) LMNAHCAR3ALDH1A1MAPTPOLB
SCHEMBL28288806 0.78 KMT2A (0.71) LMNAHCAR3KDM4ETSHRALDH1A1

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 2 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