SCHEMBL28239559

SCHEMBL28239559

COc1ccc(C=Nn2cnnc2C)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
MAPT P10636 3/20 0.57
GAA P10253 3/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ATM Q13315 2/20 0.57
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57
RAB9A P51151 1/20 0.57
CYP1A2 P05177 1/20 0.55
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
AMY1A P0DUB6 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
MCL1 Q07820 1/20 0.49
RORC P51449 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47

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
SCHEMBL28238198 0.78 ALDH1A1 (0.61) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL28282155 0.76 KDM4E (0.46) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL28239457 0.76 POLB (0.55) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL28529063 0.76 CYP1A2 (0.54) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL28282172 0.74 KMT2A (0.46) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL30474604 0.74 GAA (0.65) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL28238193 0.73 ALDH1A1 (0.62) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL28239238 0.72 CYP1A2 (0.63) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL11744328 0.72 MAPT (1.00) KDM4EMAPTGAAALDH1A1CYP1A2
SCHEMBL28238300 0.72 ATM (0.44) KDM4EMAPTGAAALDH1A1SMN1; SMN2

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-108358896-A A kind of compound and preparation method being used to prepare prevention crop pathogenic bacteria drug 贵州大学 2018-08-03 CN disclosed