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Sugi Predict / Compounds / SCHEMBL24739658

SCHEMBL24739658

SCHEMBL24739658

CCCCN(C(=O)C(Cc1ccncc1)N1C(=O)c2cc(Oc3cccc(-c4cccc(C(=O)NCC5CO5)c4)c3)c3c4c(Oc5cccc(-c6cccc(C(=O)NCC7CO7)c6)c5)cc5c6c(cc(Oc7cccc(-c8cccc(C(=O)NCC9CO9)c8)c7)c(c7c(Oc8cccc(-c9cccc(C(=O)NCC%10CO%10)c9)c8)cc(c2c37)C1=O)c64)C(=O)N(C(Cc1ccncc1)C(=O)N(CCCC)C1CCCCC1)C5=O)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.33
▸ F3 P13726 2/20 0.32
▸ F2 P00734 1/20 0.32
▸ BRD4 O60885 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ROCK2 O75116 3/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL24739879 0.91 ROCK2 (0.32) ROCK2
SCHEMBL24739881 0.91 RAB9A (0.36) RAB9AF3F2BRD4HPGD
SCHEMBL24739882 0.89 RAB9A (0.33) RAB9ABRD4AURKA
SCHEMBL24740017 0.88 AURKA (0.35) RAB9ABRD4HPGDNPC1AURKA
SCHEMBL24739651 0.87 RAB9A (0.33) RAB9AF3F2BRD4HPGD
SCHEMBL24739633 0.86 RAB9A (0.35) RAB9ABRD4HPGDNPC1ALDH1A1
SCHEMBL24739617 0.85 ROCK2 (0.38) RAB9AHPGDALDH1A1MMP13SMN1; SMN2
SCHEMBL24739628 0.85 RAB9A (0.36) RAB9ABRD4HPGDNPC1AURKA
SCHEMBL24739659 0.85 AURKA (0.35) RAB9ABRD4HPGDNPC1AURKA
SCHEMBL24739764 0.85 RAB9A (0.36) RAB9ABRD4HPGDNPC1AURKA

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