SCHEMBL30228908

SCHEMBL30228908

O=c1c(O)cccn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
COMT P21964 3/20 0.46
MMP2 P08253 1/20 0.43
DBH P09172 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
MAPK1 P28482 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
FGFR1 P11362 1/20 0.41

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
SCHEMBL31456679 0.80 CYP3A4 (0.45) ALDH1A1MAPTMAPK1HTTPOLB
SCHEMBL1137068 0.76 KDM4E (0.54) ATMDDB1CRBNALDH1A1MAPT
SCHEMBL13575331 0.75 ATM (0.47) ATMCOMTDDB1CRBNALDH1A1
SCHEMBL15803829 0.75 SMN1; SMN2 (0.50) ATMCOMTDDB1CRBNALDH1A1
SCHEMBL747392 0.75 NOTUM (0.47) ATMCOMTDDB1CRBNALDH1A1
SCHEMBL3974215 0.73 MAPT (0.49) ATMDDB1CRBNALDH1A1MAPT
SCHEMBL1396731 0.73 MAPK1 (0.58) ATMALDH1A1MAPTMAPK1LMNA
SCHEMBL12971416 0.73 ATM (0.48) ATMCOMTDDB1CRBNALDH1A1
SCHEMBL16256868 0.72 ATM (0.58) ATMDDB1CRBNALDH1A1MAPT
SCHEMBL3963253 0.72 ATM (0.44) ATMCOMTDDB1CRBNALDH1A1

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-2023034836-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-03-09 WO disclosed