SCHEMBL9657474

SCHEMBL9657474

O=C1CCn2c1c(Sc1ccccc1)c1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
RXFP1 Q9HBX9 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PABPC1 P11940 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
EIF4H Q15056 1/20 0.41
PRNP P04156 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.36
NTSR1 P30989 1/20 0.36
ATM Q13315 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
GSK3B P49841 1/20 0.35
SMARCA4 P51532 2/20 0.35

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
SCHEMBL16201678 0.75 PABPC1 (0.46) RXFP1PABPC1EIF4HPRNPKMT2A
SCHEMBL18202181 0.73 PABPC1 (0.49) KDM4EALDH1A1PABPC1RECQLMAPT
SCHEMBL18202213 0.73 PABPC1 (0.49) KDM4EALDH1A1PABPC1RECQLL3MBTL1
SCHEMBL9844706 0.73 KDM4E (0.60) KDM4EPABPC1RECQLMAPTSMARCA4
SCHEMBL19960975 0.70 PABPC1 (0.45) KDM4EALDH1A1PABPC1KMT2AMEN1
SCHEMBL10725922 0.65 KDM4E (0.54) KDM4EALDH1A1PABPC1RECQLL3MBTL1
SCHEMBL16201684 0.65 CDK5 (0.45) KDM4EALDH1A1PABPC1KMT2AMEN1
SCHEMBL18202193 0.64 PABPC1 (0.40) KDM4EALDH1A1PABPC1KMT2ARECQL
SCHEMBL10742255 0.63 RXFP1 (0.58) KDM4ERXFP1ALDH1A1PABPC1PTGDR2
SCHEMBL6981939 0.63 PIM1 (0.42) KDM4EALDH1A1PABPC1KMT2AMEN1

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
US-5128364-A Antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-07-07 US disclosed