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Sugi Predict / Compounds / SCHEMBL24739633

SCHEMBL24739633

SCHEMBL24739633

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(C3CCCCC3)C3CCCCC3)C8=O)C(=O)N(C(Cc3ccncc3)C(=O)N(c3ccccc3)C3CCCCC3)C4=O)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.35
▸ BRD4 O60885 4/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ GPR132 Q9UNW8 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ HPGD P15428 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
SCHEMBL24739881 0.95 RAB9A (0.36) RAB9ABRD4NPC1ALDH1A1SMN1; SMN2
SCHEMBL24739651 0.89 RAB9A (0.33) RAB9ABRD4NPC1ALDH1A1SMN1; SMN2
SCHEMBL24739764 0.89 RAB9A (0.36) RAB9ABRD4NPC1ALDH1A1SMN1; SMN2
SCHEMBL24739658 0.86 RAB9A (0.33) RAB9ABRD4NPC1ALDH1A1SMN1; SMN2
SCHEMBL24739652 0.86 RAB9A (0.36) RAB9ABRD4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL24740017 0.86 AURKA (0.35) RAB9ABRD4NPC1ALDH1A1SMN1; SMN2
SCHEMBL24739765 0.85 RAB9A (0.35) RAB9ABRD4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL24739628 0.84 RAB9A (0.36) RAB9ABRD4NPC1ALDH1A1SMN1; SMN2
SCHEMBL24739617 0.84 ROCK2 (0.38) RAB9AALDH1A1SMN1; SMN2L3MBTL1ROCK2
SCHEMBL24739882 0.84 RAB9A (0.33) RAB9ABRD4GPR132

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