SCHEMBL25726596

SCHEMBL25726596

c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc4c(-c5cccc6ccccc56)cccc4c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ ATM Q13315 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ TUBB4A P04350 2/20 0.37
▸ TUBB P07437 2/20 0.37
▸ TUBA3C P0DPH7 2/20 0.37
▸ TUBA1B P68363 2/20 0.37
▸ TUBA4A P68366 2/20 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
SCHEMBL17655906 0.91 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL25668643 0.91 KDM4E (0.46) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL21191471 0.91 KDM4E (0.46) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL25668641 0.90 KDM4E (0.44) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL22026340 0.89 KDM4E (0.47) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL19276001 0.89 KDM4E (0.47) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL26007154 0.89 KDM4E (0.38) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL24154174 0.89 CA12 (0.43) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL21448347 0.89 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL14749024 0.89 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1MAPT

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-2023085790-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-05-19 — — WO disclosed
Send feedback