SCHEMBL6204931

SCHEMBL6204931

Cc1cc2nc3ccc(O)cc3nc2cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.48
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 5/20 0.42
MAPT P10636 4/20 0.42
AMY1A P0DUB6 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 3/20 0.41
ALOX15 P16050 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALOX12 P18054 2/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
CCR6 P51684 1/20 0.41

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
SCHEMBL3722904 0.85 KDM4E (0.48) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL26020973 0.84 NQO2 (0.61) NQO2KDM4EMAPTALDH1A1HSD17B10
SCHEMBL6206349 0.83 NQO2 (0.71) NQO2KDM4EMAPTALDH1A1HSD17B10
SCHEMBL15581107 0.83 KDM4E (0.58) NQO2ESR1ESR2KDM4EMAPT
SCHEMBL14077239 0.82 ALDH1A1 (0.54) NQO2ESR1ESR2KDM4EALDH1A1
SCHEMBL2368334 0.82 ALDH1A1 (0.54) NQO2ESR1ESR2KDM4EALDH1A1
SCHEMBL30129291 0.81 APAF1 (0.60) NQO2KDM4EMAPTALDH1A1HSD17B10
SCHEMBL4363504 0.81 APAF1 (0.60) NQO2KDM4EMAPTALDH1A1HSD17B10
SCHEMBL11203049 0.79 TDP1 (0.53) NQO2KDM4EMAPTALDH1A1HSD17B10
SCHEMBL30928218 0.76 NQO2 (0.56) NQO2KDM4EMAPTALDH1A1HSD17B10

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-1292268-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-23 EP claimed
EP-1292268-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP claimed
WO-2001097764-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO claimed
EP-1292268-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-23 EP disclosed
EP-1292268-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP disclosed
WO-2001097764-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO disclosed