SCHEMBL28239457

SCHEMBL28239457

COc1cccc(C=Nn2cnnc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 3/20 0.53
CHRM5 P08912 1/20 0.53
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
PKM P14618 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
TSHR P16473 2/20 0.45
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL28239238 0.83 CYP1A2 (0.63) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28238198 0.83 ALDH1A1 (0.61) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28238186 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4ECHRM5
SCHEMBL28239170 0.80 CYP1A2 (0.44) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28280836 0.79 MEN1 (0.59) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL28239559 0.76 KDM4E (0.57) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28282155 0.76 KDM4E (0.46) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28520476 0.75 MAPT (0.62) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28282172 0.73 KMT2A (0.46) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28238193 0.72 ALDH1A1 (0.62) POLBNPC1RAB9ASMN1; 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-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