SCHEMBL24889455

SCHEMBL24889455

c1ccc(C2=NC(c3cc(-c4cccc5ccccc45)cc4oc5ccccc5c34)NC(c3ccccc3)N2)cc1

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL23312624 0.96 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL26382378 0.94 CA12 (0.31) —
SCHEMBL24886577 0.91 CYP11B1 (0.31) —
SCHEMBL24887666 0.89 ENPP3 (0.32) ALDH1A1MAPTMEN1NPC1KMT2A
SCHEMBL24886894 0.89 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL24886905 0.88 EDNRB (0.31) MEN1NPC1KMT2A
SCHEMBL24356143 0.87 EDNRB (0.32) ALDH1A1MAPT
SCHEMBL24886495 0.87 HCRTR1 (0.30) —
SCHEMBL24886605 0.87 MEN1 (0.32) ALDH1A1MAPTMEN1NPC1KMT2A
SCHEMBL24890175 0.86 PLA2G2A (0.32) NPC1TP53HPGDSMN1; SMN2

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-2023287228-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2023-01-19 — — WO disclosed
Send feedback