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Sugi Predict / Compounds / SCHEMBL24739765

SCHEMBL24739765

SCHEMBL24739765

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(CC3CCCCC3)CC3CCCCC3)C8=O)C(=O)N(C(Cc3ccncc3)C(=O)N(Cc3ccccc3)Cc3ccccc3)C4=O)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.35
▸ ROCK2 O75116 3/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ WDR5 P61964 2/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ REN P00797 1/20 0.32
▸ GPR132 Q9UNW8 2/20 0.31
▸ AURKA O14965 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ L3MBTL1 Q9Y468 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 0.94 RAB9A (0.36) RAB9AROCK2BRD4GPR132AURKA
SCHEMBL24739881 0.88 RAB9A (0.36) RAB9AROCK2ROCK1BRD4MEN1
SCHEMBL24740017 0.87 AURKA (0.35) RAB9AROCK2ROCK1BRD4GPR132
SCHEMBL24739764 0.86 RAB9A (0.36) RAB9AROCK2BRD4GPR132AURKA
SCHEMBL24739628 0.86 RAB9A (0.36) RAB9AROCK2ROCK1BRD4MEN1
SCHEMBL24739633 0.85 RAB9A (0.35) RAB9AROCK2ROCK1BRD4GPR132
SCHEMBL24739617 0.84 ROCK2 (0.38) RAB9AROCK2ROCK1HDAC6ALDH1A1
SCHEMBL24739612 0.84 AURKA (0.38) RAB9AROCK2MEN1KMT2AGPR132
SCHEMBL24739732 0.84 GPR132 (0.39) RAB9AROCK2BRD4GPR132AURKA
SCHEMBL24739658 0.84 RAB9A (0.33) RAB9AROCK2ROCK1BRD4MEN1

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