SCHEMBL25436806

SCHEMBL25436806

COc1ccc(-c2c(-c3ccc(OC)cc3)c3c(-c4ccc(OC)cc4)c(O)c(-c4ccc(OC)cc4)c4ccc5cc(O)cc2c5c43)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ BACE1 P56817 1/20 0.40
▸ ABCB1 P08183 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ CYP1A1 P04798 2/20 0.37
▸ CYP1B1 Q16678 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 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
SCHEMBL28696774 0.84 ABCG2 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28711726 0.80 KIF11 (0.38) NPC1MAPK1RAB9ASMN1; SMN2ESR2
SCHEMBL28713305 0.79 ESR1 (0.32) ESR2ESR1
SCHEMBL25226274 0.77 ESR2 (0.52) MEN1KMT2ANPC1TP53MAPK1
SCHEMBL29227269 0.74 IDO1 (0.38) MEN1KMT2ANPC1TP53MAPK1
SCHEMBL13145980 0.74 CA1 (0.44) NPC1CASP3RAB9ASMN1; SMN2SENP7
SCHEMBL30554744 0.73 NTRK1 (0.38) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL29227272 0.73 NTRK1 (0.38) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL25271741 0.72 GAA (0.48) MEN1KMT2ANPC1TP53MAPK1
SCHEMBL30307098 0.70 NTRK1 (0.47) MEN1KMT2ANPC1TP53MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023103611-A1 BROMOPYRENE INTERMEDIATE AND DERIVATIVES THEREOF, PREPARATION METHOD, AND USE 广东工业大学 2023-06-15 — — WO disclosed
CN-114149307-A Bromopyrene intermediate and derivative, preparation method and application thereof 广东工业大学 2022-03-08 — — CN disclosed
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