SCHEMBL30783436

SCHEMBL30783436

COc1cc(=O)n(C)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.61
KDM4E B2RXH2 2/20 0.61
NQO2 P16083 2/20 0.61
HSD17B10 Q99714 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 1/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.60
HPGD P15428 1/20 0.60
MAPT P10636 1/20 0.59
TP53 P04637 1/20 0.54
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.53
CYP19A1 P11511 1/20 0.53
POLB P06746 1/20 0.51
KDM1A O60341 1/20 0.50
BRD4 O60885 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
SCHEMBL11379787 1.00 KCNA3 (0.61) KCNA3KDM4ENQO2HSD17B10SMN1; SMN2
SCHEMBL1685959 0.81 KCNA3 (0.57) KCNA3KDM4ENQO2HSD17B10SMN1; SMN2
SCHEMBL11375444 0.81 KCNA3 (0.69) KCNA3KDM4ENQO2HSD17B10SMN1; SMN2
SCHEMBL29206051 0.80 KCNA3 (0.56) KCNA3KDM4ENQO2HSD17B10SMN1; SMN2
SCHEMBL11389662 0.79 KCNA3 (0.74) KCNA3SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL17576252 0.79 KDM4E (0.49) KCNA3KDM4ENQO2HSD17B10SMN1; SMN2
SCHEMBL12002308 0.78 ALDH1A1 (0.66) KDM4ESMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL19330830 0.78 MAPT (0.55) KDM4ENQO2HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL18026627 0.78 KCNA3 (0.64) KCNA3KDM4ENQO2HSD17B10SMN1; SMN2
SCHEMBL2797897 0.78 ALDH1A1 (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDMAPT

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-117624043-A Preparation method of quinolinone compound 安徽中医药大学 2024-03-01 CN disclosed