SCHEMBL24772403

SCHEMBL24772403

CC1C=Cc2cccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4cccc5c4CCC=C5)n3)c2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL21182966 0.90 HDAC8 (0.37) ENPP3ENPP1HDAC8HDAC6HRH3
SCHEMBL21698306 0.86 KDM4E (0.36) ENPP3ENPP1HDAC8HDAC6HRH3
SCHEMBL23097020 0.82 HRH3 (0.31) ENPP3ENPP1HRH3
SCHEMBL21650467 0.80
SCHEMBL22147146 0.76 L3MBTL1 (0.34) HTR1AHTR7KDM4EALDH1A1TP53
SCHEMBL21776074 0.76
SCHEMBL25833278 0.75 MAPT (0.35) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL19533735 0.75 CA12 (0.36) ENPP3ENPP1HDAC8HDAC6HTR1A
SCHEMBL29514531 0.75 HTR7 (0.40) HRH3HTR1AHTR7KDM4EALDH1A1
SCHEMBL25837617 0.73 PRKDC (0.33)

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
EP-4099420-A1 COMPOSITION, LAYER INCLUDING THE COMPOSITION, LIGHT-EMITTING DEVICE INCLUDING THE COMPOSITION, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2022-12-07 EP disclosed