SCHEMBL6572192

SCHEMBL6572192

C=CCNc1ccc([N+](=O)[O-])cc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.49
MYC P01106 1/20 0.47
MAX P61244 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
MAPT P10636 6/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
PTGS2 P35354 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CRHBP P24387 1/20 0.45
CYP2C19 P33261 1/20 0.45
CRHR2 Q13324 1/20 0.45
RAB9A P51151 3/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43

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 0.81 KMT2A (0.64) MYCMAXPTGDR2MAPTKMT2A
SCHEMBL6406226 0.80 HCAR3 (0.40) HCAR3KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL10696913 0.80 POLB (0.50) MYCMAXPTGDR2MAPTKMT2A
SCHEMBL1252601 0.79 HCAR3 (0.66) HCAR3MAPTKMT2AMEN1CRHBP
SCHEMBL9654359 0.77 MAPT (0.59) HCAR3MAPTKMT2AMEN1CYP1A2
SCHEMBL9218700 0.77 KMT2A (0.51) HCAR3MAPTKMT2AMEN1CRHBP
SCHEMBL9220760 0.77 HCAR3 (0.50) HCAR3MAPTKMT2AMEN1CYP1A2
SCHEMBL4034943 0.77 POLB (0.57) HCAR3MAPTKMT2AMEN1RAB9A
SCHEMBL11145528 0.77 MAPT (0.54) HCAR3MAPTKMT2AMEN1CYP1A2
SCHEMBL6572033 0.76 MYC (0.48) MYCMAXPTGDR2MAPTKMT2A

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