SCHEMBL7085984

SCHEMBL7085984

Cc1cc(N)c(-c2ccccn2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
NPC1 O15118 5/20 0.47
LMNA P02545 3/20 0.45
METAP1 P53582 2/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
TDO2 P48775 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
TP53 P04637 4/20 0.42
ALOX15 P16050 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.40

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
SCHEMBL25395443 0.89 KDM4E (0.47) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL25393293 0.78 KDM4E (0.44) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL7088688 0.78 APLNR (0.48) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL17427076 0.77 KDM4E (0.57) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL16792550 0.75 TSHR (0.55) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL25393432 0.75 PLA2G7 (0.50) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL17306381 0.75 KDM4E (0.47) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL30776779 0.75 KDM4E (0.55) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL13581443 0.75 KDM4E (0.55) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL22636959 0.75 TDO2 (0.41) KDM4ENPC1LMNAMETAP1CCR1

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