SCHEMBL7086471

SCHEMBL7086471

Nc1ccc(N)c(-c2cncc(O)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 5/20 0.43
CYP3A4 P08684 3/20 0.43
CYP17A1 P05093 2/20 0.43
HSD17B1 P14061 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.36
IDO1 P14902 1/20 0.36
GRIA2 P42262 1/20 0.35
PIK3CG P48736 1/20 0.35
CYP19A1 P11511 1/20 0.35
PDE10A Q9Y233 1/20 0.34
APLNR P35414 1/20 0.34
PRKCZ Q05513 1/20 0.34
MEN1 O00255 1/20 0.33
PSIP1 O75475 1/20 0.33
AXL P30530 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL7085557 0.83 MEN1 (0.40) CYP11B1CYP11B2IDO1PRKCZMEN1
SCHEMBL6570727 0.79 ABL1 (0.42) CYP3A4PIK3CGCYP19A1PDE10AMEN1
SCHEMBL7088612 0.79 CYP2A6 (0.46) CYP11B1CYP11B2CYP3A4IDO1PDE10A
SCHEMBL7085699 0.79 CYP11B1 (0.40) CYP11B1CYP11B2CYP3A4CYP17A1PRKCZ
SCHEMBL7091233 0.79 IDO1 (0.42) CYP11B1CYP11B2CYP3A4IDO1PRKCZ
SCHEMBL7088870 0.77 EGFR (0.41) CYP11B1CYP11B2CYP3A4CYP17A1IDO1
SCHEMBL145074 0.76 AXL (0.59) CYP11B1CYP11B2CYP3A4CYP19A1MEN1
SCHEMBL6571983 0.76 ALDH1A1 (0.40) CYP3A4PIK3CGCYP19A1PDE10AMEN1
Hydrochloric Acid SCHEMBL6739740 0.75 AXL (0.58) CYP11B1CYP11B2CYP3A4CYP19A1MEN1
Hydrochloric Acid SCHEMBL7090061 0.75 AXL (0.58) CYP11B1CYP11B2CYP3A4CYP19A1MEN1

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