SCHEMBL28211432

SCHEMBL28211432

[CH2]c1c(O)c2ccccc2n(C)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
KMT2A Q03164 5/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KDM4E B2RXH2 11/20 0.56
HPGD P15428 4/20 0.56
RXFP1 Q9HBX9 2/20 0.56
PRNP P04156 1/20 0.54
GAA P10253 3/20 0.53
GLA P06280 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 4/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 2/20 0.52
PGR P06401 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ERCC1 P07992 1/20 0.50

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
SCHEMBL5001108 0.83 ALDH1A1 (0.67) ALDH1A1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL30583271 0.83 ALDH1A1 (0.67) ALDH1A1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL10216426 0.80 ALDH1A1 (0.63) ALDH1A1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL1241425 0.79 ALDH1A1 (0.61) ALDH1A1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL10018544 0.77 DPP4 (0.60) ALDH1A1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL29636198 0.77 KDM4E (0.82) ALDH1A1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL5741498 0.76 KDM4E (0.74) ALDH1A1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL1685948 0.76 ALDH1A1 (0.77) ALDH1A1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL8358461 0.76 MAPT (0.65) ALDH1A1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL10315671 0.76 KDM4E (0.70) ALDH1A1KMT2ALMNASMN1; SMN2KDM4E

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-105384687-B Quinolinones compound and its applied in medicine 广东东阳光药业有限公司 2018-05-01 CN disclosed