SCHEMBL7085693

SCHEMBL7085693

N#Cc1ccc(-c2cc(N)ccc2N)nc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.45
MAOA P21397 1/20 0.45
GRM5 P41594 4/20 0.41
EGLN2 Q96KS0 6/20 0.39
HTT P42858 2/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL7088925 0.81 HIF1A (0.36) KDM1AALDH1A1
SCHEMBL7085463 0.77 KDM4C (0.40) KDM1AMAOAKCNH2
SCHEMBL7282296 0.76 KDM1A (0.56) KDM1AGRM5EGLN2HTTKDM4E
SCHEMBL30755702 0.75 GRM5 (0.45) KDM1AMAOAGRM5EGLN2HTT
SCHEMBL7086514 0.75 IDO1 (0.46) KDM1AALDH1A1HPGD
SCHEMBL7085720 0.75 KDM1A (0.41) KDM1AMAOAKDM4EALDH1A1HPGD
SCHEMBL2941856 0.75 CCR1 (0.52) KDM1AALDH1A1
SCHEMBL7086289 0.75 ALDH1A1 (0.36) KDM1AGRM5KDM4EALDH1A1
SCHEMBL31172969 0.74 GRM5 (0.54) KDM1AGRM5EGLN2HTTKDM4E
SCHEMBL995794 0.74 GRM5 (0.54) KDM1AGRM5EGLN2HTTKDM4E

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