SCHEMBL25009012

SCHEMBL25009012

c1ccc(-c2cccc3ccc(-c4nc(-c5ccc6ccc7ccccc7c6c5)nc(-c5cccc6oc7ccccc7c56)n4)cc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
TSHR P16473 3/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TNF P01375 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL25009009 0.96 MAPT (0.40) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25008349 0.96 MAPT (0.42) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24888248 0.95 MAPT (0.39) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25008356 0.95 ALDH1A1 (0.41) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25008905 0.95 ALDH1A1 (0.41) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25008922 0.95 ALDH1A1 (0.41) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24315502 0.95 MAPT (0.43) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25008999 0.94 CA12 (0.40) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23820650 0.94 L3MBTL1 (0.41) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23822735 0.94 L3MBTL1 (0.41) MAPTALDH1A1KDM4EHPGDHSD17B10

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
WO-2023014004-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-02-09 WO disclosed