SCHEMBL25354587

SCHEMBL25354587

O=[N+]([O-])c1ccc(Nc2ccc(Br)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.68
ALOX12 P18054 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
POLB P06746 2/20 0.58
PIK3CA P42336 1/20 0.57
PIK3CB P42338 1/20 0.57
PIK3CG P48736 1/20 0.57
MAPT P10636 6/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 1/20 0.55
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CXCR2 P25025 1/20 0.53
AHR P35869 1/20 0.50
MCL1 Q07820 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
KIF11 P52732 1/20 0.50

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
SCHEMBL18289621 0.89 HPGD (0.83) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL395942 0.89 HPGD (0.83) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL18289622 0.89 HPGD (0.83) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL4957626 0.89 HPGD (0.83) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL85535 0.87 MEN1 (0.64) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL6841660 0.86 MEN1 (0.59) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL14428282 0.86 HPGD (0.61) HPGDALOX12L3MBTL1MEN1KMT2A
Fluoride SCHEMBL27503363 0.84 MEN1 (0.62) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL19025562 0.84 MEN1 (0.62) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL9479463 0.81 ALOX12 (1.00) HPGDALOX12L3MBTL1MEN1KMT2A

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