SCHEMBL28506316

SCHEMBL28506316

CC(C)(C)c1ccc(-n2c3ccccc3c3c(Br)cccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PPARA Q07869 2/20 0.40
▸ PMM2 O15305 1/20 0.38
▸ MPI P34949 1/20 0.38
▸ PHOSPHO1 Q8TCT1 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.32
▸ DNM1 Q05193 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ SLC5A1 P13866 1/20 0.31
▸ SLC5A2 P31639 1/20 0.31

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
SCHEMBL30345602 1.00 PPARG (0.42) PPARGL3MBTL1KDM4EATMPPARA
SCHEMBL23524662 0.87 KDM4E (0.36) PPARGL3MBTL1KDM4EATMPPARA
SCHEMBL15447751 0.83 KDM4E (0.53) PPARGL3MBTL1KDM4EATMPPARA
SCHEMBL22721384 0.83 L3MBTL1 (0.44) L3MBTL1KDM4EATMMAPK1ALDH1A1
SCHEMBL31384383 0.82 L3MBTL1 (0.61) L3MBTL1KDM4EATMMAPK1ALDH1A1
SCHEMBL29446458 0.82 L3MBTL1 (0.61) L3MBTL1KDM4EATMMAPK1ALDH1A1
SCHEMBL3049158 0.82 L3MBTL1 (0.61) L3MBTL1KDM4EATMMAPK1ALDH1A1
SCHEMBL31257233 0.82 PPARG (0.47) PPARGL3MBTL1KDM4EATMPPARA
SCHEMBL15078261 0.82 PPARG (0.47) PPARGL3MBTL1KDM4EATMPPARA
SCHEMBL674884 0.82 KDM4E (0.59) PPARGL3MBTL1KDM4EATMPPARA

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-111647010-B Polycyclic boron-containing compound and electronic device thereof 苏州久显新材料有限公司 2023-04-07 — — CN disclosed
CN-111647010-A Polycyclic boron-containing compound and electronic device thereof 苏州久显新材料有限公司 2020-09-11 — — CN disclosed
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