SCHEMBL24922678

SCHEMBL24922678

COc1ccc(C(C)(C)c2ccc(Oc3ccc(-n4nccn4)nc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.37
MCHR1 Q99705 1/20 0.37
FGFR2 P21802 1/20 0.34
LTA4H P09960 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
EGLN1 Q9GZT9 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SCN9A Q15858 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LCK P06239 1/20 0.32

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
SCHEMBL24922128 0.82 KMT2A (0.52) NPBWR1MEN1KMT2AEGLN1ALDH1A1
SCHEMBL24920613 0.82 ACACB (0.37) MEN1KMT2AALDH1A1SCN9AHPGD
SCHEMBL20912238 0.81 EGLN1 (0.39) MEN1KMT2AEGLN1ALDH1A1HCRTR1
SCHEMBL24921249 0.80 ACACB (0.31) ALDH1A1SCN9ANPC1RAB9AHPGD
SCHEMBL27233964 0.80 ACACB (0.31) ALDH1A1SCN9ANPC1RAB9AHPGD
SCHEMBL27233960 0.80 ACACB (0.31) ALDH1A1SCN9ANPC1RAB9AHPGD
SCHEMBL24922127 0.76 LTA4H (0.39) NPBWR1MCHR1FGFR2LTA4HMEN1
SCHEMBL30399915 0.75 LTA4H (0.56) LTA4HMEN1KMT2AALDH1A1NPC1
SCHEMBL25986532 0.75 LTA4H (0.56) LTA4HMEN1KMT2AALDH1A1NPC1
SCHEMBL30212243 0.74 NPBWR1 (0.38) NPBWR1MCHR1FGFR2EGLN1

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