SCHEMBL23637473

SCHEMBL23637473

c1ccc2c(c1)oc1cc(Nc3cccc4c3ccc3c5ccccc5sc43)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.45
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
GAA P10253 4/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL17742393 0.94 DUSP3 (0.46) DUSP3KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL18799378 0.82 PARP14 (0.43) DUSP3KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL17742387 0.82 PTGIR (0.48) DUSP3KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL29324197 0.81 DUSP3 (0.53) DUSP3KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL17742401 0.81 KMT2A (0.46) DUSP3KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL23314006 0.80 PRKDC (0.39) DUSP3KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL14295754 0.79 DUSP3 (0.67) DUSP3KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL25636184 0.79 PTGIR (0.45) DUSP3KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL25898950 0.79 ALDH1A1 (0.40) DUSP3KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL26853328 0.79 MEN1 (0.63) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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
WO-2021141356-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-07-15 WO disclosed