SCHEMBL24739716

SCHEMBL24739716

COc1ccccc1OC(=O)C(Cc1ccncc1)N1C(=O)c2cc(Oc3cccc(-c4cccc(C(=O)NCC5CO5)c4)c3)c3c4c(Oc5cccc(-c6cccc(C(=O)NCC7CO7)c6)c5)cc5c6c(cc(Oc7cccc(-c8cccc(C(=O)NCC9CO9)c8)c7)c(c7c(Oc8cccc(-c9cccc(C(=O)NCC%10CO%10)c9)c8)cc(c2c37)C1=O)c64)C(=O)N(C(Cc1ccncc1)C(=O)Oc1ccccc1OC)C5=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.37
HPGD P15428 3/20 0.34
RAB9A P51151 2/20 0.34
ROCK2 O75116 2/20 0.34
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ROCK1 Q13464 1/20 0.33
THRB P10828 1/20 0.33
DGAT2 Q96PD7 2/20 0.32
GSK3B P49841 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK14 Q16539 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD4 O60885 2/20 0.32
GPR132 Q9UNW8 1/20 0.32
EPHX1 P07099 1/20 0.32
FAAH O00519 1/20 0.31
DRD2 P14416 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
SCHEMBL24740008 0.92 AURKA (0.35) AURKAHPGDRAB9AROCK2NPC1
SCHEMBL24739732 0.89 GPR132 (0.39) AURKARAB9AROCK2ALDH1A1BRD4
SCHEMBL24739628 0.88 RAB9A (0.36) AURKAHPGDRAB9AROCK2NPC1
SCHEMBL24739843 0.87 AURKA (0.34) AURKAHPGDRAB9AROCK2NPC1
SCHEMBL24739873 0.87 AURKA (0.33) AURKAHPGDRAB9ANPC1DGAT2
SCHEMBL24739715 0.87 L3MBTL1 (0.40) AURKAALDH1A1KMT2ASMN1; SMN2EPHX1
SCHEMBL24740017 0.86 AURKA (0.35) AURKAHPGDRAB9AROCK2NPC1
SCHEMBL24739659 0.86 AURKA (0.35) AURKAHPGDRAB9AROCK2NPC1
SCHEMBL24739612 0.86 AURKA (0.38) AURKAHPGDRAB9AROCK2CYP3A4
SCHEMBL24739960 0.86 MAPT (0.36) AURKAHPGDRAB9AALDH1A1KMT2A

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
US-20220390841-A1 COMPOUND, PHOTOSENSITIVE FLUORESCENT RESIN COMPOSITION COMPRISING SAME, COLOR CONVERSION FILM, BACKLIGHT UNIT, AND DISPLAY DEVICE LG CHEM, LTD. (KR) 2022-12-08 US disclosed