SCHEMBL30454767

SCHEMBL30454767

COc1ccc(C)cc1Oc1ccc(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
L3MBTL1 Q9Y468 12/20 0.44
MAPT P10636 11/20 0.44
HPGD P15428 7/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL25355273 1.00 ACHE (0.50) ACHEL3MBTL1MAPTHPGDNPC1
SCHEMBL17050816 0.86 L3MBTL1 (0.42) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL25353410 0.83 TRPA1 (0.37) L3MBTL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30455590 0.83 PDE4A (0.39) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL25355182 0.83 PDE4A (0.39) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL25355051 0.82 ALOX15 (0.39) MAPTHPGDNPC1RAB9ATDP1
SCHEMBL30454375 0.80 GAA (0.38) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL25355935 0.80 GAA (0.38) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL31498372 0.78 HSPB1 (0.43) L3MBTL1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL25354369 0.77 SLC6A4 (0.42) ALDH1A1POLBLMNAKDM4ESLC6A2

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-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed