SCHEMBL31662262

SCHEMBL31662262

COC(=O)c1cc(Oc2ccc(OCc3ccccc3)cc2)c2c(cnn2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK14 Q16539 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
MAOB P27338 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
MAPT P10636 1/20 0.41
USP2 O75604 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL31662519 0.85 CA12 (0.41) LMNAHPGDMEN1KMT2ANPSR1
SCHEMBL31662527 0.84 MAPT (0.41) LMNAHPGDMEN1KMT2ACYP2C19
SCHEMBL31662315 0.84 MAPT (0.41) LMNAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL31662290 0.82 USP2 (0.39) LMNAKMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31662553 0.81 KIT (0.40) MEN1KMT2APOLBCYP2C19NPSR1
SCHEMBL31662283 0.81 PDE1C (0.43) MEN1KMT2APOLBCYP2C19NPSR1
SCHEMBL31662488 0.80 LMNA (0.37) LMNASMN1; SMN2MRGPRX4MAPTUSP2
SCHEMBL31662347 0.76 LMNA (0.38) LMNAHPGDMEN1KMT2APOLB
SCHEMBL31662404 0.76 SCN9A (0.40) LMNAHPGDMEN1KMT2AMAOB
SCHEMBL31662294 0.76 HAO1 (0.39) MEN1KMT2A

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