SCHEMBL25008922

SCHEMBL25008922

c1ccc(-c2ccc(-c3nc(-c4ccc5cccc(-c6ccccc6)c5c4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
TNF P01375 1/20 0.38

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
SCHEMBL25008356 1.00 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL25008349 0.99 MAPT (0.42) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL25008999 0.96 CA12 (0.40) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL25008330 0.95 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL27455113 0.95 MAPT (0.41) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL25008905 0.95 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL25009012 0.95 MAPT (0.39) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL25008994 0.94 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL25009009 0.94 MAPT (0.40) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL25008925 0.94 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EHPGDTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289836-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME Lg Chem, Ltd. (KR) 2023-12-13 EP disclosed
WO-2023014004-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-02-09 WO disclosed