SCHEMBL23487162

SCHEMBL23487162

c1ccc(-c2nc3ccccc3nc2-c2cc3sc4c5ccccc5n5c6ccccc6c6cccc2c6c3c45)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.38
KDM4E B2RXH2 8/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
KMT2A Q03164 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL23486990 0.83 L3MBTL1 (0.38) L3MBTL1KDM4ELMNAALDH1A1GAA
SCHEMBL23487009 0.82 KDM4E (0.31) KDM4EHSD17B10
SCHEMBL23487191 0.81 MEN1 (0.36) L3MBTL1KDM4ELMNAALDH1A1GAA
SCHEMBL23487170 0.81 TDP1 (0.35) L3MBTL1KDM4ELMNAALDH1A1GAA
SCHEMBL23486987 0.80 KDM4E (0.35) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL22722251 0.79 KDM4E (0.41) L3MBTL1KDM4ELMNAALDH1A1GAA
SCHEMBL23486999 0.77 NPC1 (0.37) L3MBTL1KDM4ELMNAALDH1A1GAA
SCHEMBL23487161 0.77 ALOX5 (0.30)
SCHEMBL22913667 0.75 HSD17B10 (0.33) KDM4ELMNAALDH1A1GAAKMT2A
SCHEMBL23487192 0.74 HSD17B10 (0.33) L3MBTL1ALDH1A1GAAKMT2AHPGD

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-2021112478-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-06-10 WO disclosed