SCHEMBL31662269

SCHEMBL31662269

Cn1ncc2cc(C(=O)O)cc(Br)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
TPMT P51580 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
POLB P06746 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
EGLN1 Q9GZT9 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AR P10275 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
MAOB P27338 2/20 0.33
HCAR3 P49019 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL20604894 0.83 ALDH1A1 (0.42) MEN1KMT2ATSHRPOLBL3MBTL1
SCHEMBL31662195 0.82 KMT2A (0.43) MEN1KMT2APOLBL3MBTL1AR
SCHEMBL22939501 0.81 KDM4E (0.42) TTRTPMTKMT2AALOX15TSHR
SCHEMBL17277747 0.81 TTR (0.43) TTRTPMTMEN1KMT2AALOX15
SCHEMBL17875685 0.75 PRNP (0.34) MEN1KMT2ATSHRHTT
SCHEMBL20610585 0.74 TTR (0.43) TTRTPMTMEN1KMT2APOLB
SCHEMBL29855960 0.74 TTR (0.43) TTRTPMTMEN1KMT2APOLB
SCHEMBL30971129 0.73 PSMD14 (0.36) KMT2ATSHRPOLBSMN1; SMN2
SCHEMBL16972308 0.73 MEN1 (0.41) MEN1KMT2AEGLN1SMN1; SMN2MAOB
SCHEMBL31646894 0.73

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed