SCHEMBL30749355

SCHEMBL30749355

OCc1ccc(Cl)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.46
MAPT P10636 2/20 0.41
IDO1 P14902 6/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
SLC22A1 O15245 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSPD1 P10809 1/20 0.40
HSPA5 P11021 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 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
SCHEMBL710306 1.00 PYCR1 (0.46) PYCR1MAPTIDO1CYP3A4SMN1; SMN2
SCHEMBL3634811 0.83 PYCR1 (0.44) PYCR1MAPTIDO1CYP3A4SMN1; SMN2
SCHEMBL500015 0.82 CYP3A4 (0.45) PYCR1MAPTIDO1CYP3A4SMN1; SMN2
SCHEMBL17410220 0.79 PYCR1 (0.41) PYCR1MAPTIDO1CYP3A4SMN1; SMN2
SCHEMBL597241 0.79 MAOA (0.41) MAPTHTTMEN1KMT2APSEN1
SCHEMBL596499 0.79 MAOA (0.41) LMNAPPARASLC6A4
SCHEMBL29485890 0.79 PYCR1 (0.47) PYCR1MAPTIDO1CYP3A4SMN1; SMN2
SCHEMBL26078400 0.79 PYCR1 (0.47) PYCR1MAPTIDO1CYP3A4SMN1; SMN2
SCHEMBL979069 0.79 PYCR1 (0.47) PYCR1MAPTIDO1CYP3A4SMN1; SMN2
SCHEMBL29493203 0.78 IDO1 (0.50) MAPTIDO1CYP3A4SMN1; SMN2HIF1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573096-A1 INHIBITORS OF MYELOPEROXIDASE Astrazeneca AB (SE) 2025-06-25 EP disclosed
CN-115066428-B Boric acid derivatives 首药控股(北京)股份有限公司 2025-06-13 CN disclosed
CN-118791498-A Tetracyclic compound, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2024-10-18 CN disclosed
WO-2024038131-A1 INHIBITORS OF MYELOPEROXIDASE ASTRAZENECA AB (SE) 2024-02-22 WO disclosed