SCHEMBL31662379

SCHEMBL31662379

CC1(n2ccn(-c3ccc(O)cc3)c2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
PKM P14618 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.34
MGLL Q99685 1/20 0.34
MAPT P10636 5/20 0.34
KDM4E B2RXH2 4/20 0.34
GAA P10253 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 3/20 0.33
POLB P06746 2/20 0.33
MITF O75030 1/20 0.33
DNMT1 P26358 1/20 0.33
MCL1 Q07820 1/20 0.33
SAE1 Q9UBE0 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
SCHEMBL12362740 0.72 TDP1 (0.41) KMT2APKMNPSR1TDP1HSP90AA1
SCHEMBL19244972 0.68 ALDH1A1 (0.52) KMT2APKMNPSR1TDP1HSP90AA1
SCHEMBL14889068 0.68 MAPT (0.39) KMT2APKMNPSR1TDP1HSP90AA1
SCHEMBL9038758 0.68 MAPT (0.48) KMT2APKMNPSR1TDP1MAPT
SCHEMBL31339608 0.67 KDM4E (0.37) KMT2AMAPTKDM4EALDH1A1LMNA
SCHEMBL1728613 0.62 HRH3 (0.46) ALDH1A1
SCHEMBL5256770 0.61 RAB9A (0.53) KMT2APKMNPSR1TDP1HSP90AA1
SCHEMBL31662370 0.61 ESR1 (0.32) KMT2APKMNPSR1TDP1HSP90AA1
Bromide SCHEMBL6763251 0.60 LTA4H (0.56) KMT2AMGLLMEN1ESR1ESR2
SCHEMBL142916 0.60 MEN1 (0.54) KMT2APKMNPSR1TDP1HSP90AA1

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