SCHEMBL24739612

SCHEMBL24739612

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)NCc3ccccc3)C8=O)C(=O)N(C(Cc3ccncc3)C(=O)NCc3ccccc3)C4=O)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.38
EPHX1 P07099 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 4/20 0.36
ROCK2 O75116 5/20 0.36
LOX P28300 2/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
GPR132 Q9UNW8 1/20 0.36
GRK2 P25098 2/20 0.35
PRKCA P17252 1/20 0.35
MAPK14 Q16539 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
MMP13 P45452 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM3 P20309 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL24739732 0.91 GPR132 (0.39) AURKAEPHX1RAB9AALDH1A1ROCK2
SCHEMBL24739659 0.91 AURKA (0.35) AURKARAB9AALDH1A1ROCK2GPR132
SCHEMBL24739960 0.91 MAPT (0.36) AURKAMEN1KMT2ARAB9AALDH1A1
SCHEMBL24739652 0.90 RAB9A (0.36) AURKAEPHX1RAB9AALDH1A1ROCK2
SCHEMBL24739929 0.89 MEN1 (0.33) AURKAEPHX1MEN1KMT2ARAB9A
SCHEMBL24739844 0.89 ALDH1A1 (0.36) AURKAMEN1KMT2ARAB9AALDH1A1
SCHEMBL24739764 0.89 RAB9A (0.36) AURKAEPHX1RAB9AALDH1A1ROCK2
SCHEMBL24740008 0.89 AURKA (0.35) AURKAEPHX1RAB9AALDH1A1ROCK2
SCHEMBL24739661 0.89 AURKA (0.34) AURKARAB9AALDH1A1LOXLOXL2
SCHEMBL24739618 0.88 AURKA (0.33) AURKARAB9AALDH1A1ROCK2GPR132

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