SCHEMBL7086205

SCHEMBL7086205

Nc1ccc(N)c(-c2ncccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.49
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 3/20 0.44
HSP90AA1 P07900 3/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
ATM Q13315 2/20 0.44
HSP90AB1 P08238 2/20 0.44
CASP1 P29466 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAP4K4 O95819 1/20 0.40
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL30792364 1.00 KDM1A (0.49) KDM1AALDH1A1SMN1; SMN2MAPTHTT
Hydrochloric Acid SCHEMBL7086589 0.98 KDM1A (0.47) KDM1AALDH1A1SMN1; SMN2MAPTHTT
Hydrochloric Acid SCHEMBL7089234 0.98 KDM1A (0.47) KDM1AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL8744267 0.81 EGFR (0.41) KDM1AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL7468150 0.80 NPC1 (0.48) KDM1AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL25391936 0.79 PLA2G7 (0.50) KDM1AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL2651950 0.79 MAP4K4 (0.44) KDM1AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL462513 0.78 KDM1A (0.49) KDM1AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL7088723 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTHTTHSP90AA1
SCHEMBL7086361 0.78 MAP4K4 (0.58) ALDH1A1SMN1; SMN2MAPTHTTHSP90AA1

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 7 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
CN-105235313-A Preparation method for non-glue flexible copper clad laminate with high dimensional stability UNIV NANJING SCIENCE & TECH 2016-01-13 CN disclosed
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