SCHEMBL30786241

SCHEMBL30786241

CCCCOC(=O)n1ncc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.57
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
BCHE P06276 1/20 0.46
TSHR P16473 6/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 3/20 0.45
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
ELANE P08246 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.43
EGFR P00533 1/20 0.42
ALOX15 P16050 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL14193258 0.92 ASAH1 (0.53) ASAH1TSHRRAB9APOLBHSD17B10
SCHEMBL5120623 0.87 HSD17B10 (0.56) ASAH1KMT2ATSHRRAB9APOLB
SCHEMBL4782417 0.83 ATM (0.46) ASAH1KMT2AMEN1BCHEL3MBTL1
SCHEMBL17665507 0.78 MEN1 (0.58) ASAH1KMT2AMEN1TSHRRAB9A
Hydrochloric Acid SCHEMBL31243595 0.78 ASAH1 (0.45) ASAH1KMT2AMEN1TSHRRAB9A
SCHEMBL4048871 0.77 ELANE (0.52) ASAH1KMT2AMEN1TSHRRAB9A
SCHEMBL6625152 0.77 SLC22A12 (0.47) ASAH1KMT2AMEN1TSHRRAB9A
SCHEMBL7167380 0.77 ASAH1 (0.52) ASAH1KMT2AMEN1TSHRRAB9A
SCHEMBL31707519 0.77 ASAH1 (0.52) ASAH1KMT2AMEN1TSHRRAB9A
Hydrochloric Acid SCHEMBL28173345 0.76 ASAH1 (0.51) ASAH1KMT2AMEN1TSHRRAB9A

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-2024032584-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-02-15 WO disclosed