SCHEMBL31662370

SCHEMBL31662370

O=c1n(CC2COC2)ccn1-c1ccc(O)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MGLL Q99685 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DRD2 P14416 1/20 0.30
GRM2 Q14416 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL31662197 0.79 MCHR1 (0.47) LMNASMN1; SMN2PKMGRM2
SCHEMBL14889068 0.73 MAPT (0.39) ESR1ESR2KMT2AMAPTKDM4E
SCHEMBL31662406 0.69 SCN9A (0.43) DRD2
SCHEMBL19244972 0.64 ALDH1A1 (0.52) ESR1ESR2KMT2AMAPTKDM4E
SCHEMBL12362740 0.64 TDP1 (0.41) ESR1ESR2KMT2AMAPTKDM4E
SCHEMBL1728613 0.61 HRH3 (0.46) ALDH1A1GRM2
SCHEMBL25392115 0.61 EPHX2 (0.39) KMT2AMAPTALDH1A1LMNATDP1
SCHEMBL9038758 0.61 MAPT (0.48) KMT2AMAPTKDM4EALDH1A1LMNA
SCHEMBL31662379 0.61 KMT2A (0.35) ESR1ESR2KMT2AMAPTKDM4E
SCHEMBL22511492 0.60 BRD4 (0.38) KMT2AKDM4EALDH1A1HTTSMN1; SMN2

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