SCHEMBL29934016

SCHEMBL29934016

O=C(O)c1ccc(Cl)c(C#Cc2cncc(Br)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.41
HTT P42858 3/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.37
GRM5 P41594 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
SLC16A3 O15427 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SRD5A2 P31213 1/20 0.35

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
SCHEMBL28884697 1.00 HCAR2 (0.46) HCAR2POLBTSHRHTTALOX15
SCHEMBL23501639 0.85 ALDH1A1 (0.41) TSHRHTTRAB9AGRM5MAPT
SCHEMBL29934096 0.85 ALDH1A1 (0.41) TSHRHTTRAB9AGRM5MAPT
SCHEMBL29934281 0.84 POLB (0.46) HCAR2POLBTSHRHTTALOX15
SCHEMBL23501801 0.84 POLB (0.46) HCAR2POLBTSHRHTTALOX15
SCHEMBL29933160 0.79 TAS1R3 (0.46) MEN1KMT2A
SCHEMBL1921254 0.77 TSHR (0.52) TSHRRAB9AMAPTALDH1A1HAO1
SCHEMBL21201466 0.70 ADH5 (0.52) HCAR2POLBTSHRHTTALOX15
SCHEMBL27974410 0.69 KIT (0.60)
SCHEMBL1477046 0.68 GRM5 (0.55) HTTALOX15GRM5MAPT

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
CN-119371371-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2025-01-28 CN disclosed
CN-115315421-B Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2024-12-03 CN disclosed
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 CN disclosed