SCHEMBL31662223

SCHEMBL31662223

CN(C)/C=N/NC(=O)c1cc(Oc2ccc(O)cc2)n2cncc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ESRRG P62508 3/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL31662464 0.80 MPO (0.41) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL31662366 0.79 CA1 (0.42) KDM4ESMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL31662424 0.76 PARP10 (0.48) MEN1KMT2AALDH1A1ESR1ESR2
SCHEMBL31662321 0.68 ESR2 (0.39) KDM4ESMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL31662272 0.68 KCNH2 (0.37) SMN1; SMN2MEN1KMT2AALDH1A1TP53
SCHEMBL31662628 0.67 KCNH2 (0.36) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL31662623 0.67 MAPT (0.33) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL31662394 0.66 CYP11B2 (0.35) SMN1; SMN2MEN1KMT2A
SCHEMBL31662594 0.65 MAPT (0.45) KDM4ESMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL31662396 0.64 POLB (0.38) KDM4ETP53CYP3A4NPC1

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