SCHEMBL24825768

SCHEMBL24825768

c1cc(N(c2cccc3ccccc23)c2cccc3ccc4c5ccccc5oc4c23)cc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
BRCA1 P38398 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
PPARG P37231 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL24827024 0.92 KDM4E (0.37) ALDH1A1MEN1POLBTSHRBRCA1
SCHEMBL24827006 0.91 MEN1 (0.35) ALDH1A1MEN1POLBTSHRBRCA1
SCHEMBL24825766 0.90 L3MBTL1 (0.33) ALDH1A1MEN1POLBTSHRBRCA1
SCHEMBL24826925 0.90 CYP1A1 (0.34) ALDH1A1MEN1POLBTSHRBRCA1
SCHEMBL24825114 0.89 KDM4E (0.32) ALDH1A1L3MBTL1KDM4EATMLMNA
SCHEMBL24825517 0.88 KDM4E (0.32) ALDH1A1MEN1POLBTSHRBRCA1
SCHEMBL24825777 0.88 CYP1A1 (0.33) ALDH1A1KMT2AL3MBTL1KDM4EATM
SCHEMBL24826732 0.88 KDM4E (0.35) ALDH1A1MEN1POLBTSHRBRCA1
SCHEMBL24887117 0.87 KDM4E (0.36) ALDH1A1MEN1POLBTSHRBRCA1
SCHEMBL24825711 0.87 ALDH1A1 (0.33) ALDH1A1MEN1POLBTSHRBRCA1

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-20220416174-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-12-29 US disclosed