SCHEMBL25472736

SCHEMBL25472736

c1ccc(-c2nc3c4c(nc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)nc4n2)-c2ccccc2-3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ ATM Q13315 2/20 0.40
▸ ADORA3 P0DMS8 5/20 0.37
▸ ADORA2A P29274 5/20 0.37
▸ ADORA1 P30542 5/20 0.37
▸ MAPT P10636 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ ABCG2 Q9UNQ0 2/20 0.35
▸ DHFR P00374 1/20 0.35
▸ WHR1 P49842 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL25469492 0.97 MEN1 (0.40) MEN1KMT2AATMADORA3ADORA2A
SCHEMBL25469409 0.91 CNR1 (0.35) MEN1KMT2AATMADORA3ADORA2A
SCHEMBL25469761 0.89 MAOB (0.37) MEN1KMT2AADORA2AADORA1MAPT
SCHEMBL25469404 0.87 ADORA3 (0.45) MEN1KMT2AATMADORA3ADORA2A
SCHEMBL25472306 0.87 CNR1 (0.35) MEN1KMT2AATMADORA3ADORA2A
SCHEMBL25472307 0.86 MEN1 (0.34) MEN1KMT2AATMADORA3ADORA2A
SCHEMBL25472734 0.86 ADORA1 (0.41) MEN1KMT2AATMADORA3ADORA2A
SCHEMBL25472065 0.86 CYP11B1 (0.40) MEN1KMT2AATMADORA3ADORA2A
SCHEMBL25469593 0.85 ESR1 (0.42) MEN1KMT2AADORA3ADORA2AADORA1
SCHEMBL25472121 0.84 ADORA1 (0.41) MEN1KMT2AATMADORA3ADORA2A

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-2023082808-A1 TETRAAZA-FLUORANTHENE COMPOUND AND APPLICATION THEREOF 上海八亿时空先进材料有限公司 2023-05-19 — — WO disclosed
Send feedback