SCHEMBL7091233

SCHEMBL7091233

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
FGFR1 P11362 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
THRB P10828 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
USP2 O75604 1/20 0.35

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) IDO1MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL25593208 0.83 PLA2G7 (0.47) IDO1MKNK1MKNK2FGFR1ALDH1A1
SCHEMBL5687618 0.81 MKNK1 (0.45) IDO1MKNK1MKNK2FGFR1CYP11B1
SCHEMBL28316014 0.79 CYP3A4 (0.44) IDO1ALDH1A1HPGDSMN1; SMN2THRB
SCHEMBL7085699 0.79 CYP11B1 (0.40) MKNK1MKNK2CYP11B1CYP11B2MEN1
SCHEMBL7086471 0.79 CYP11B1 (0.43) IDO1MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL7088612 0.79 CYP2A6 (0.46) IDO1MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL21044096 0.77 MKNK1 (0.61) MKNK1MKNK2FGFR1CYP11B1CYP11B2
SCHEMBL7088870 0.77 EGFR (0.41) IDO1MKNK1MKNK2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL6572516 0.77 CYP3A4 (0.42) IDO1ALDH1A1HPGDSMN1; SMN2THRB

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