SCHEMBL7086237

SCHEMBL7086237

Nc1ccc(N)c(-c2ccncc2C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
CYP17A1 P05093 2/20 0.36
LATS1 O95835 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SRC P12931 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TLR9 Q9NR96 1/20 0.36
CFTR P13569 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
SCHEMBL7085956 0.87 GAA (0.46) GAAGLAPOLBTSHRCYP17A1
SCHEMBL7085653 0.79 AOC1 (0.39) GAAPOLBTSHRKDM4EMEN1
SCHEMBL25262932 0.78 KIF11 (0.43) GAAGLAPOLBTSHRCYP17A1
SCHEMBL30522548 0.78 KIF11 (0.43) GAAGLAPOLBTSHRCYP17A1
SCHEMBL7086643 0.78 NUDT1 (0.44) GAAGPBAR1IMPDH2PRKCZ
SCHEMBL7085966 0.77 GAA (0.43) GAAPOLBTSHRCYP17A1KDM4E
SCHEMBL2478064 0.76 TSHR (0.57) GAAGLAPOLBTSHRKDM4E
Hydrochloric Acid SCHEMBL6574273 0.75 POLB (0.55) GAAGLAPOLBTSHRKDM4E
SCHEMBL7085707 0.75 ADRA2B (0.37) GAACYP17A1IMPDH2PRKCZ
SCHEMBL7085320 0.75 EP300 (0.44) GAATSHRKDM4EMEN1ALDH1A1

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