SCHEMBL9241985

SCHEMBL9241985

N#Cc1cc(I)ccc1C=Cc1ccc(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.50
NQO2 P16083 4/20 0.45
CYP3A4 P08684 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 4/20 0.44
ALOX12 P18054 3/20 0.44
CYP2C9 P11712 3/20 0.44
HIF1A Q16665 3/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
PMP22 Q01453 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX5 P09917 3/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 2/20 0.44
THPO P40225 2/20 0.44

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
SCHEMBL9241999 0.82 LCK (0.50) LCKNQO2CYP3A4ALDH1A1HSD17B10
SCHEMBL9238385 0.79 NQO2 (0.61) LCKNQO2CYP3A4ALDH1A1HSD17B10
SCHEMBL9245479 0.79 NQO2 (0.61) LCKNQO2CYP3A4ALDH1A1HSD17B10
SCHEMBL14812561 0.74 NPC1 (0.56) LCKNQO2CYP3A4ALDH1A1HSD17B10
SCHEMBL875899 0.73 ERN1 (0.42) TTRCYP19A1XDH
SCHEMBL1824175 0.71 LCK (1.00) LCKNQO2CYP3A4ALDH1A1HSD17B10
SCHEMBL30631591 0.71 LCK (1.00) LCKNQO2CYP3A4ALDH1A1HSD17B10
SCHEMBL31706727 0.71 LCK (1.00) LCKNQO2CYP3A4ALDH1A1HSD17B10
SCHEMBL1824176 0.71 LCK (1.00) LCKNQO2CYP3A4ALDH1A1HSD17B10
SCHEMBL4265590 0.71 LCK (0.65) LCKNQO2CYP3A4ALDH1A1HSD17B10

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
EP-0640586-A1 STILBENE DERIVATIVE AND STILBENE ANALOG DERIVATIVE, AND USE THEREOF MORINAGA MILK INDUSTRY CO., LTD. (JP) 1995-03-01 EP disclosed