SCHEMBL7754086

SCHEMBL7754086

O=c1ccc2c(OCCCBr)c3ccoc3cc2o1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 20/20 0.71
KCNA5 P22460 14/20 0.71
KCNA4 P22459 2/20 0.71
KCNA1 Q09470 2/20 0.71
KCNN4 O15554 1/20 0.71
THRB P10828 1/20 0.71
KCNA2 P16389 1/20 0.71
KCNA6 P17658 1/20 0.71
KCNMA1 Q12791 1/20 0.71
KCNH2 Q12809 1/20 0.71
KCNN1 Q92952 1/20 0.71
KCNA7 Q96RP8 1/20 0.71
KCNN2 Q9H2S1 1/20 0.71
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
LMNA P02545 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68

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
SCHEMBL29503682 1.00 KCNA3 (0.71) KCNA3KCNA5KCNA4KCNA1KCNN4
SCHEMBL2586445 0.86 KCNA3 (0.76) KCNA3KCNA5KCNA4KCNA1KCNN4
SCHEMBL23406793 0.85 KCNA3 (0.69) KCNA3KCNA5KCNA4KCNA1KCNN4
SCHEMBL4123742 0.84 KCNA3 (0.68) KCNA3KCNA5KCNA4KCNA1KCNN4
SCHEMBL2579695 0.83 KCNA3 (0.78) KCNA3KCNA5KCNA4KCNA1KCNN4
SCHEMBL29410610 0.83 KCNA3 (1.00) KCNA3KCNA5KCNA4KCNA1KCNN4
SCHEMBL25981033 0.83 CYP2D6 (0.68) KCNA3KCNA5KCNA4KCNA1KCNN4
SCHEMBL2583446 0.83 KCNA3 (1.00) KCNA3KCNA5KCNA4KCNA1KCNN4
SCHEMBL2579673 0.83 KCNA3 (1.00) KCNA3KCNA5KCNA4KCNA1KCNN4
SCHEMBL2585454 0.83 KCNA3 (1.00) KCNA3KCNA5KCNA4KCNA1KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001053301-A1 CHIMERIC MOLECULES CONSISTING OF PSORALEN AND RETINOID, PREPARATION METHOD, USES THEREOF FOR TREATING CELL HYPERPROLIFERATION PATHOLOGIES AND IN PARTICULAR PSORIASIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2001-07-26 WO claimed
CN-113214282-B AChE/BACE1/GSK3 beta three-target inhibitor, preparation method thereof and application thereof in resisting Alzheimer disease 中国人民解放军北部战区总医院 2022-03-22 CN disclosed
CN-113214282-A AChE/BACE1/GSK3 beta three-target inhibitor, preparation method thereof and application thereof in resisting Alzheimer disease 中国人民解放军北部战区总医院 2021-08-06 CN disclosed
WO-2001053301-A1 CHIMERIC MOLECULES CONSISTING OF PSORALEN AND RETINOID, PREPARATION METHOD, USES THEREOF FOR TREATING CELL HYPERPROLIFERATION PATHOLOGIES AND IN PARTICULAR PSORIASIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2001-07-26 WO disclosed