SCHEMBL31474262

SCHEMBL31474262

COC(=O)COc1cc(Br)c(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
HMGCR P04035 2/20 0.43
AAK1 Q2M2I8 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDK2 Q15119 1/20 0.38
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL26968155 0.79 LMNA (0.47) LMNAALDH1A1MAPTHMGCRMEN1
SCHEMBL2945856 0.79 ALDH1A1 (0.58) LMNAALDH1A1MAPTHMGCRMEN1
SCHEMBL5007334 0.76 PKM (0.69) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL4517198 0.76 PKM (0.53) LMNAALDH1A1MAPTHMGCRMEN1
SCHEMBL25289926 0.76 PTGS2 (0.49) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL31150276 0.76 PTGS2 (0.49) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL22823751 0.76 HMGCR (0.41) LMNAALDH1A1MAPTHMGCRAAK1
SCHEMBL31437985 0.76 PTGDR (0.40) LMNAALDH1A1MAPTHMGCRMEN1
SCHEMBL19782976 0.75 LMNA (0.40) LMNAALDH1A1MAPTHMGCRMEN1
SCHEMBL13104128 0.74 LMNA (0.53) LMNAALDH1A1MAPTHMGCRMEN1

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-2025061148-A1 HETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2025-03-27 WO disclosed