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Sugi Predict / Compounds / SCHEMBL24739764

SCHEMBL24739764

SCHEMBL24739764

O=C(NCC1CO1)c1cccc(-c2cccc(Oc3cc4c5c(cc(Oc6cccc(-c7cccc(C(=O)NCC8CO8)c7)c6)c6c7c(Oc8cccc(-c9cccc(C(=O)NCC%10CO%10)c9)c8)cc8c9c(cc(Oc%10cccc(-c%11cccc(C(=O)NCC%12CO%12)c%11)c%10)c(c3c56)c97)C(=O)N(C(Cc3ccncc3)C(=O)N(c3ccccc3)c3ccccc3)C8=O)C(=O)N(C(Cc3ccncc3)C(=O)N(c3ccccc3)c3ccccc3)C4=O)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.36
▸ GPR132 Q9UNW8 2/20 0.34
▸ AURKA O14965 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ BRD4 O60885 3/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CHRM3 P20309 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
SCHEMBL24739652 0.92 RAB9A (0.36) RAB9AGPR132AURKAALDH1A1TSHR
SCHEMBL24739882 0.90 RAB9A (0.33) RAB9AGPR132AURKABRD4
SCHEMBL24740017 0.90 AURKA (0.35) RAB9AGPR132AURKAALDH1A1BRD4
SCHEMBL24739732 0.89 GPR132 (0.39) RAB9AGPR132AURKAALDH1A1TSHR
SCHEMBL24739612 0.89 AURKA (0.38) RAB9AGPR132AURKAALDH1A1TSHR
SCHEMBL24739633 0.89 RAB9A (0.35) RAB9AGPR132ALDH1A1TSHRBRD4
SCHEMBL24739881 0.89 RAB9A (0.36) RAB9AAURKAALDH1A1BRD4ROCK2
SCHEMBL24740008 0.88 AURKA (0.35) RAB9AGPR132AURKAALDH1A1TSHR
SCHEMBL24739960 0.87 MAPT (0.36) RAB9AGPR132AURKAALDH1A1BRD4
SCHEMBL24739844 0.87 ALDH1A1 (0.36) RAB9AGPR132AURKAALDH1A1TSHR

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