SCHEMBL11539828

SCHEMBL11539828

COc1c(N)c(O)c(OC)c2occc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 5/20 0.60
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
CYP1B1 Q16678 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.46
KCNA2 P16389 1/20 0.45
KCNA4 P22459 1/20 0.45
KCNA5 P22460 1/20 0.45
KCNA1 Q09470 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL10921411 0.78 KCNA3 (0.76) KCNA3ALDH1A1LMNAMAPTMAPK1
SCHEMBL9127225 0.76 KCNA3 (0.78) KCNA3ALDH1A1LMNAMAPTMAPK1
SCHEMBL3189671 0.76 KCNA3 (1.00) KCNA3KCNA2KCNA4KCNA5KCNA1
SCHEMBL10632361 0.74 KCNA3 (0.67) KCNA3CYP3A4KDM4ECYP1A1CYP1A2
SCHEMBL10371094 0.74 KCNA3 (0.62) KCNA3CYP3A4KDM4ECYP1A1CYP1A2
SCHEMBL10925069 0.74 KCNA3 (0.76) KCNA3ALDH1A1LMNAMAPTMAPK1
SCHEMBL12133188 0.72 KCNA3 (0.83) KCNA3KCNA2KCNA4KCNA5KCNA1
SCHEMBL10910633 0.72 KCNA3 (0.56) KCNA3ALDH1A1LMNAMAPTMAPK1
SCHEMBL11538023 0.72 KCNA3 (0.63) KCNA3KDM4ECYP1A2KCNA2KCNA4
SCHEMBL29915583 0.72 KCNA3 (0.52) KCNA3ALDH1A1LMNAMAPTMAPK1

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
US-4153620-A ANTIARRHYTHMIA AGENTS DELALANDE S.A. (FR) 1979-05-08 US disclosed
US-4113951-A ANTIARRHYTHMIA DELALANDE S. A. (FR) 1978-09-12 US disclosed