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Sugi Predict / Compounds / SCHEMBL24739628

SCHEMBL24739628

SCHEMBL24739628

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)OC3CCCCC3)C8=O)C(=O)N(C(Cc3ccncc3)C(=O)OC3CCCCC3)C4=O)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.36
▸ ROCK2 O75116 6/20 0.36
▸ ROCK1 Q13464 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ AURKA O14965 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MMP13 P45452 1/20 0.32
▸ PDE4A P27815 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 0.90 AURKA (0.35) RAB9AROCK2ROCK1ALDH1A1SMN1; SMN2
SCHEMBL24739617 0.90 ROCK2 (0.38) RAB9AROCK2ROCK1ALDH1A1SMN1; SMN2
SCHEMBL24739881 0.89 RAB9A (0.36) RAB9AROCK2ROCK1ALDH1A1SMN1; SMN2
SCHEMBL24739650 0.88 RAB9A (0.35) RAB9AROCK2ROCK1ALDH1A1SMN1; SMN2
SCHEMBL24739732 0.88 GPR132 (0.39) RAB9AROCK2ALDH1A1BRD4AURKA
SCHEMBL24739716 0.88 AURKA (0.37) RAB9AROCK2ROCK1ALDH1A1SMN1; SMN2
SCHEMBL24739873 0.87 AURKA (0.33) RAB9AALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL24739960 0.87 MAPT (0.36) RAB9AALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL24739843 0.87 AURKA (0.34) RAB9AROCK2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL24739659 0.86 AURKA (0.35) RAB9AROCK2ALDH1A1SMN1; SMN2L3MBTL1

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