SCHEMBL10388636

SCHEMBL10388636

c1ccc(Oc2ccc(OCc3ccccn3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
PARP10 Q53GL7 1/20 0.59
KCNH2 Q12809 1/20 0.58
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPK14 Q16539 1/20 0.54
LTA4H P09960 4/20 0.50
HPGD P15428 1/20 0.49
MAOB P27338 1/20 0.48
SYK P43405 2/20 0.48
AURKB Q96GD4 1/20 0.48
INCENP Q9NQS7 1/20 0.48
ABCB1 P08183 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6445371 0.92 KCNH2 (0.67) KDM4EALDH1A1SMN1; SMN2PARP10KCNH2
SCHEMBL22874534 0.83 PARP10 (0.66) KDM4EALDH1A1SMN1; SMN2PARP10KCNH2
SCHEMBL5667052 0.81 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2PARP10KCNH2
SCHEMBL21568937 0.81 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2PARP10KCNH2
SCHEMBL17712563 0.81 SMN1; SMN2 (0.63) KDM4EALDH1A1SMN1; SMN2PARP10KCNH2
SCHEMBL169753 0.81 SMN1; SMN2 (0.63) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
SCHEMBL22967393 0.81 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
SCHEMBL1073540 0.81 SYK (0.68) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
SCHEMBL31688873 0.81 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2PARP10KCNH2
SCHEMBL30361386 0.81 PARP10 (0.64) KDM4EALDH1A1SMN1; SMN2PARP10KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4943584-A (p-Phenoxyphenoxy)-methyl-five-membered hetaryls BASF AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed