SCHEMBL7106841

SCHEMBL7106841

Oc1ccc(N2CCCN(c3ccc(O)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
MAPT P10636 3/20 0.61
ALDH1A1 P00352 3/20 0.61
PKM P14618 1/20 0.61
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
F2 P00734 1/20 0.55
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
TMPRSS6 Q8IU80 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
ST14 Q9Y5Y6 1/20 0.55
DRD4 P21917 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 4/20 0.50

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
SCHEMBL3043144 0.97 ALDH1A1 (0.57) KDM4EMAPTALDH1A1PKMGRIN2D
SCHEMBL657027 0.92 ALDH1A1 (0.57) KDM4EMAPTALDH1A1PKMDRD4
SCHEMBL7041242 0.92 MAPT (0.68) KDM4EMAPTALDH1A1PKMF2
SCHEMBL20748279 0.90 ALDH1A1 (0.58) KDM4EMAPTALDH1A1PKMDRD4
SCHEMBL2947895 0.90 ALDH1A1 (0.58) KDM4EMAPTALDH1A1PKMDRD4
Hydrochloric Acid SCHEMBL11794645 0.90 ALDH1A1 (0.58) KDM4EMAPTALDH1A1PKMDRD4
Hydrochloric Acid SCHEMBL29157420 0.88 ALDH1A1 (0.61) KDM4EMAPTALDH1A1PKMDRD4
SCHEMBL28956345 0.84 CTSL (0.48) KDM4EMAPTALDH1A1PKMGRIN2D
SCHEMBL11726853 0.84 ALDH1A1 (0.52) KDM4EMAPTALDH1A1PKMTDP1
SCHEMBL28356161 0.84 ALDH1A1 (0.59) KDM4EMAPTALDH1A1GRIN2DGRIN3B

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-1292272-A2 OXIDISED HAIR DYE Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP disclosed
WO-2001097766-A2 OXIDISED HAIR DYE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO disclosed