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Sugi Predict / Compounds / SCHEMBL24739732

SCHEMBL24739732

SCHEMBL24739732

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)OCc3ccccc3)C8=O)C(=O)N(C(Cc3ccncc3)C(=O)OCc3ccccc3)C4=O)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR132 Q9UNW8 6/20 0.39
▸ RAB9A P51151 1/20 0.37
▸ AURKA O14965 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ CMKLR2 P46091 1/20 0.32
▸ CMKLR1 Q99788 1/20 0.32

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
SCHEMBL24739626 0.92 GPR132 (0.33) GPR132RAB9AAURKAROCK2
SCHEMBL24740008 0.91 AURKA (0.35) GPR132RAB9AAURKAALDH1A1TSHR
SCHEMBL24739612 0.91 AURKA (0.38) GPR132RAB9AAURKAALDH1A1TSHR
SCHEMBL24739652 0.90 RAB9A (0.36) GPR132RAB9AAURKAALDH1A1TSHR
SCHEMBL24739716 0.89 AURKA (0.37) GPR132RAB9AAURKAALDH1A1ROCK2
SCHEMBL24739843 0.89 AURKA (0.34) GPR132RAB9AAURKAALDH1A1TSHR
SCHEMBL24739844 0.89 ALDH1A1 (0.36) GPR132RAB9AAURKAALDH1A1TSHR
SCHEMBL24739764 0.89 RAB9A (0.36) GPR132RAB9AAURKAALDH1A1TSHR
SCHEMBL24739873 0.88 AURKA (0.33) GPR132RAB9AAURKAALDH1A1BRD4
SCHEMBL24739628 0.88 RAB9A (0.36) RAB9AAURKAALDH1A1ROCK2BRD4

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