SCHEMBL31133332

SCHEMBL31133332

O=C(O)c1ccnc2c1CCOC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
KDM4C Q9H3R0 3/20 0.36
KDM5A P29375 3/20 0.36
KDM4A O75164 3/20 0.34
GRM2 Q14416 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
RAB9A P51151 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HIF1AN Q9NWT6 1/20 0.34
PIK3CA P42336 1/20 0.34
FABP4 P15090 3/20 0.34
FABP5 Q01469 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
PSMD14 O00487 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 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
SCHEMBL21818641 1.00 KDM4E (0.38) KDM4EASPHKDM8KDM4CKDM5A
SCHEMBL827640 0.76 SPR (0.43) KDM4EASPHKDM8KDM4CKDM5A
SCHEMBL27138365 0.73 KDM4E (0.40) KDM4EASPHKDM8KDM4CKDM5A
SCHEMBL20897927 0.73 WNT3A (0.33) TNKSWNT3ATNKS2
SCHEMBL25527883 0.73 WNT3A (0.33) TNKSWNT3ATNKS2
SCHEMBL31133463 0.73 WNT3A (0.33) TNKSWNT3ATNKS2
SCHEMBL21818680 0.70 PARP1 (0.40) KDM4EFABP4FABP5ALDH1A1ALOX15
SCHEMBL31133375 0.70 HSD11B1 (0.36) KDM4EMAPTTSHRLMNASMN1; SMN2
SCHEMBL21818659 0.70 HSD11B1 (0.36) KDM4EMAPTTSHRLMNASMN1; SMN2
SCHEMBL24656368 0.69 WNT3A (0.32) TNKSWNT3ATNKS2

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
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed