SCHEMBL11669014

SCHEMBL11669014

c1ccc(N(Cc2ccco2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.42
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
RIPK1 Q13546 1/20 0.39

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
SCHEMBL5790031 0.77 TSHR (0.52) MAPTTSHRSMN1; SMN2HTTALDH1A1
SCHEMBL8634675 0.77 TSHR (0.56) ALOX5MAPTTP53TSHRSMN1; SMN2
SCHEMBL30923537 0.77 ALOX5 (0.47) ALOX5MAPTTP53HTTKDM4E
SCHEMBL6952454 0.75 KDM4E (0.56) ALOX5MAPTTP53HTTKDM4E
SCHEMBL8629960 0.74 ALOX5 (0.42) ALOX5MAPTTP53TSHRSMN1; SMN2
SCHEMBL9215401 0.72 HDAC1 (0.60) TSHRSMN1; SMN2HTTALDH1A1HDAC1
SCHEMBL918512 0.72 NR3C2 (0.56) TSHRSMN1; SMN2HTTALDH1A1HDAC1
SCHEMBL28948440 0.71 KDM4E (0.51) ALOX5MAPTTP53HTTKDM4E
SCHEMBL733240 0.71
SCHEMBL16523570 0.71 TSHR (0.51) MAPTTSHRSMN1; SMN2HTTKDM4E

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
JP-52153928-A None JP disclosed
JP-S52153928-A PREPARATION OF ORGANIC COMPOUNDS YOSHITOMI PHARMACEUT IND LTD 1977-12-21 JP disclosed