SCHEMBL25460896

SCHEMBL25460896

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6ccncc6)cc5-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)n3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
APAF1 O14727 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
XBP1 P17861 1/20 0.44
PTBP1 P26599 1/20 0.44
GALK1 P51570 1/20 0.44
BLM P54132 1/20 0.44
SMAD3 P84022 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 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
SCHEMBL25460879 0.93 SMN1; SMN2 (0.48) SMN1; SMN2MAPTHTTALDH1A1TSHR
SCHEMBL27293753 0.93 MEN1 (0.50) SMN1; SMN2MAPTHTTALDH1A1TSHR
SCHEMBL25462304 0.92 PIK3CA (0.43) SMN1; SMN2MAPTHTTALDH1A1TSHR
SCHEMBL25460474 0.92 MAPT (0.49) SMN1; SMN2MAPTHTTALDH1A1TSHR
SCHEMBL21481384 0.91 SMN1; SMN2 (0.48) SMN1; SMN2MAPTHTTALDH1A1TSHR
SCHEMBL25460601 0.91 MAPT (0.46) SMN1; SMN2MAPTHTTALDH1A1TSHR
SCHEMBL21481221 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MAPTHTTALDH1A1TSHR
SCHEMBL25460888 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MAPTHTTALDH1A1TSHR
SCHEMBL25461031 0.90 MAPT (0.47) SMN1; SMN2MAPTHTTALDH1A1TSHR
SCHEMBL21485473 0.89 SMN1; SMN2 (0.46) SMN1; SMN2MAPTHTTALDH1A1TSHR

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-2023085637-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-05-19 WO disclosed