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Sugi Predict / Compounds / SCHEMBL24739650

SCHEMBL24739650

SCHEMBL24739650

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)N3CCCCC3)C8=O)C(=O)N(C(Cc3ccncc3)C(=O)N3CCCCC3)C4=O)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.35
▸ ROCK2 O75116 6/20 0.34
▸ AURKA O14965 1/20 0.34
▸ ROCK1 Q13464 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MMP13 P45452 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
SCHEMBL24740008 0.89 AURKA (0.35) RAB9AROCK2AURKAROCK1ALDH1A1
SCHEMBL24739628 0.88 RAB9A (0.36) RAB9AROCK2AURKAROCK1ALDH1A1
SCHEMBL24739617 0.88 ROCK2 (0.38) RAB9AROCK2ROCK1ALDH1A1SMN1; SMN2
SCHEMBL24739960 0.88 MAPT (0.36) RAB9AAURKAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL24739881 0.88 RAB9A (0.36) RAB9AROCK2AURKAROCK1ALDH1A1
SCHEMBL24739612 0.87 AURKA (0.38) RAB9AROCK2AURKAALDH1A1SMN1; SMN2
SCHEMBL24739732 0.87 GPR132 (0.39) RAB9AROCK2AURKAALDH1A1BRD4
SCHEMBL24739659 0.87 AURKA (0.35) RAB9AROCK2AURKAALDH1A1SMN1; SMN2
SCHEMBL24740017 0.87 AURKA (0.35) RAB9AROCK2AURKAROCK1ALDH1A1
SCHEMBL24739764 0.86 RAB9A (0.36) RAB9AROCK2AURKAALDH1A1SMN1; SMN2

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