SCHEMBL28696774

SCHEMBL28696774

COc1ccc(-c2c(-c3ccc(OC)cc3)c3c(-c4ccc(OC)cc4)c(O)c(-c4ccc(OC)cc4)c4ccc5cccc2c5c43)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.43
▸ MAOB P27338 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PSMD14 O00487 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RRM1 P23921 1/20 0.40
▸ ENPP1 P22413 1/20 0.39
▸ HDAC4 P56524 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL28935252 0.85 ABCG2 (0.41) ABCG2MEN1KMT2AMAPTTDP1
SCHEMBL25436806 0.84 MEN1 (0.43) MAOBMEN1KMT2AMAPTALDH1A1
SCHEMBL30554744 0.80 NTRK1 (0.38) ABCG2MAOBMEN1KMT2AMAPT
SCHEMBL29227272 0.80 NTRK1 (0.38) ABCG2MAOBMEN1KMT2AMAPT
SCHEMBL28713191 0.80 ADORA3 (0.37) ABCG2MEN1KMT2AMAPTTDP1
SCHEMBL13145980 0.79 CA1 (0.44) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25226274 0.79 ESR2 (0.52) MAOBMEN1KMT2AMAPTALDH1A1
SCHEMBL28696753 0.78 KIF11 (0.37) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL30307098 0.78 NTRK1 (0.47) ABCG2MEN1KMT2AMAPTTDP1
SCHEMBL29227271 0.76 ABCG2 (0.39) ABCG2MAOBMEN1KMT2AMAPT

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
CN-114149307-B Bromopyrene intermediate and derivative, preparation method and application thereof 广东工业大学 2023-04-11 — — CN 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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