SCHEMBL24922127

SCHEMBL24922127

COc1ccc(C(C)(C)c2ccc(Oc3ccc(Br)nc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
FGFR2 P21802 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
PLK4 O00444 1/20 0.35

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
SCHEMBL30399915 0.81 LTA4H (0.56) LTA4HALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL25986532 0.81 LTA4H (0.56) LTA4HALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL30212233 0.79 CHRNB2 (0.39) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL24921453 0.79 CHRNB2 (0.39) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL29994942 0.77
SCHEMBL502881 0.77
SCHEMBL24921857 0.77 CACNA1I (0.46) LTA4HALDH1A1MEN1KMT2ARAB9A
SCHEMBL24922130 0.77 HRH3 (0.41) LTA4HALDH1A1MEN1KMT2ARAB9A
SCHEMBL29226462 0.76 AOC3 (0.40) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL29226458 0.76 AOC3 (0.40) ALDH1A1MEN1KMT2AMAPTMAPK1

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-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed