SCHEMBL24067720

SCHEMBL24067720

Nc1cccc(-c2cccc(-c3cc(-c4ccccc4)c4c(c3-c3ccccc3)-c3cccc5cccc-4c35)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NTRK1 P04629 1/20 0.39
GLA P06280 1/20 0.39
MAP4K4 O95819 2/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL24067942 0.94 ALDH1A1 (0.41) MAOAALDH1A1MAPTHPGDMEN1
SCHEMBL24067820 0.91 MAOA (0.46) MAOAALDH1A1MAPTHPGDMEN1
SCHEMBL24067728 0.90 HSD17B10 (0.42) MAOAALDH1A1MAPTHPGDMEN1
SCHEMBL16859291 0.89 ALDH1A1 (0.44) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL24067909 0.88 MEN1 (0.53) MAOAALDH1A1MAPTHPGDMEN1
SCHEMBL24067872 0.87 HSD17B10 (0.42) MAOAALDH1A1MAPTHPGDMEN1
SCHEMBL16670006 0.86 ALDH1A1 (0.41) MAOAALDH1A1MAPTHPGDMEN1
SCHEMBL2158220 0.86 ALDH1A1 (0.47) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL24067730 0.86 ALDH1A1 (0.42) MAOAALDH1A1MAPTHPGDMEN1
SCHEMBL24067897 0.86 DHODH (0.37) MAOAALDH1A1MAPTLMNAMAP4K4

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-2021241900-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-12-02 WO disclosed