SCHEMBL7086524

SCHEMBL7086524

Nc1ccc(N)c(-c2cccc(N)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.47
NOS1 P29475 7/20 0.39
PLAU P00749 1/20 0.38
PDPK1 O15530 1/20 0.38
NOS3 P29474 5/20 0.38
NOS2 P35228 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
BLM P54132 1/20 0.38
UBE2N P61088 1/20 0.38
CYP3A4 P08684 3/20 0.36
CASP1 P29466 1/20 0.36
RECQL P46063 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
IDH1 O75874 3/20 0.35
ALDH1A1 P00352 3/20 0.34

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
SCHEMBL462761 0.81 CCR1 (0.52) NOS3NOS2MEN1KMT2APOLB
SCHEMBL7085462 0.81 JAK2 (0.41) MEN1KMT2APOLBGAABLM
SCHEMBL5801121 0.81 TDP1 (0.49) ASIC3NOS1PLAUPDPK1MEN1
SCHEMBL7085683 0.81 PIM1 (0.38) MEN1KMT2APOLBGAABLM
SCHEMBL29973142 0.81 CCR1 (0.52) NOS3NOS2MEN1KMT2APOLB
SCHEMBL7086276 0.81 MEN1 (0.39) PLAUMEN1KMT2APOLBGAA
Hydrochloric Acid SCHEMBL7089446 0.80 CCR1 (0.50) NOS3NOS2MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL7086071 0.80 CCR1 (0.50) NOS3NOS2MEN1KMT2APOLB
SCHEMBL7085324 0.79 NOTUM (0.43) POLBGAAPIM1PIM3PIM2
SCHEMBL22386671 0.79 IRAK4 (0.34) ASIC3NOS1NOS2MEN1KMT2A

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