SCHEMBL2930438

SCHEMBL2930438

Cc1cc(N2CCC([N+](C)(C)CCC[N+](C)(C)C3CCN(c4ccc(N)c(C)c4)C3)C2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.47
GAA P10253 2/20 0.47
LGMN Q99538 2/20 0.36
DPP4 P27487 9/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
CDK1 P06493 2/20 0.32
CDK2 P24941 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
PTK2B Q14289 1/20 0.32
BPTF Q12830 1/20 0.31
IP6K1 Q92551 1/20 0.31
KHK P50053 1/20 0.31

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
Hydrochloric Acid SCHEMBL6494867 0.99 RAD52 (0.46) RAD52GAALGMNDPP4KDM4E
SCHEMBL2927410 0.96 RAD52 (0.46) RAD52GAALGMNDPP4KDM4E
Hydrochloric Acid SCHEMBL6495337 0.95 RAD52 (0.45) RAD52GAALGMNDPP4KDM4E
SCHEMBL12370012 0.93 RAD52 (0.43) RAD52GAALGMNDPP4KDM4E
SCHEMBL2266252 0.92 GAA (0.45) RAD52GAALGMNDPP4CDK1
Hydrochloric Acid SCHEMBL6401046 0.91 GAA (0.44) RAD52GAALGMNDPP4CDK1
SCHEMBL2127383 0.91 RAD52 (0.41) RAD52GAALGMNDPP4KDM4E
Hydrochloric Acid SCHEMBL2535818 0.91 GAA (0.44) RAD52GAALGMNDPP4CDK1
SCHEMBL2265811 0.90 RAD52 (0.45) RAD52GAALGMNDPP4KDM4E
Hydrochloric Acid SCHEMBL2540981 0.90 RAD52 (0.41) RAD52GAALGMNDPP4KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1728500-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye OREAL (FR) 2010-01-27 EP disclosed
EP-1728500-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye L'OREAL (FR) 2006-12-06 EP disclosed