Sugi Predict

Sugi Predict / Compounds / SCHEMBL24739844

SCHEMBL24739844

SCHEMBL24739844

O=C(NCC1CO1)c1cccc(-c2cccc(Cc3cc4c5c(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)O)C8=O)C(=O)N(C(Cc3ccncc3)C(=O)O)C4=O)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GPR132 Q9UNW8 2/20 0.35
▸ AURKA O14965 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ CHRM3 P20309 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ ROCK2 O75116 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ AADAT Q8N5Z0 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
SCHEMBL24739853 0.92 AURKA (0.34) GPR132AURKARAB9AGAAROCK2
SCHEMBL24739612 0.89 AURKA (0.38) ALDH1A1TSHRGPR132AURKARAB9A
SCHEMBL24739732 0.89 GPR132 (0.39) ALDH1A1TSHRGPR132AURKARAB9A
SCHEMBL24740008 0.88 AURKA (0.35) ALDH1A1TSHRGPR132AURKARAB9A
SCHEMBL24739652 0.88 RAB9A (0.36) ALDH1A1TSHRGPR132AURKARAB9A
SCHEMBL24739960 0.87 MAPT (0.36) ALDH1A1GPR132AURKARAB9AKMT2A
SCHEMBL24739764 0.87 RAB9A (0.36) ALDH1A1TSHRGPR132AURKARAB9A
SCHEMBL24739659 0.86 AURKA (0.35) ALDH1A1GPR132AURKARAB9AROCK2
SCHEMBL24740017 0.86 AURKA (0.35) ALDH1A1GPR132AURKARAB9AROCK2
SCHEMBL24739650 0.86 RAB9A (0.35) ALDH1A1TSHRAURKARAB9AKMT2A

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