SCHEMBL23930812

SCHEMBL23930812

COC(=O)c1nc(CBr)[nH]c1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
KDM4C Q9H3R0 1/20 0.42
RNASEH1 O60930 1/20 0.40
LMNA P02545 1/20 0.34
ERCC1 P07992 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
STAT3 P40763 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8710553 0.83 NPSR1 (0.36) NPSR1KDM4CRNASEH1LMNAKDM4E
SCHEMBL26089940 0.83 NPSR1 (0.36) NPSR1KDM4CRNASEH1LMNAKDM4E
Hydrochloric Acid SCHEMBL7883592 0.81 NPSR1 (0.44) NPSR1KDM4CRNASEH1LMNAERCC1
SCHEMBL784 0.81 NPSR1 (0.44) NPSR1KDM4CRNASEH1LMNAMEN1
SCHEMBL7303318 0.79 NPSR1 (0.41) NPSR1KDM4CRNASEH1LMNAALDH1A1
SCHEMBL30663426 0.79 NPSR1 (0.41) NPSR1KDM4CRNASEH1LMNAKDM4E
SCHEMBL2517694 0.77 NPSR1 (0.50) NPSR1KDM4CRNASEH1LMNAERCC1
SCHEMBL9277960 0.75 RNASEH1 (0.70) NPSR1RNASEH1LMNAERCC1FEN1
SCHEMBL14736371 0.74 NPSR1 (0.52) NPSR1KDM4CRNASEH1LMNAERCC1
SCHEMBL28218383 0.73 RNASEH1 (0.53) NPSR1RNASEH1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323364-A1 IMIDAZO[4,5-D]PYRIDAZINONYL DERIVATIVES AS TRPA1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2024-02-21 EP disclosed
WO-2022219015-A1 IMIDAZO[4,5-d]PYRIDAZINONYL DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-10-20 WO disclosed
WO-2021215545-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 WO disclosed