SCHEMBL30174296

SCHEMBL30174296

COc1nc2cccnc2cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.39
DAO P14920 1/20 0.39
NQO2 P16083 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DHODH Q02127 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL30466593 0.81 PDGFRB (0.61) PDGFRBPDGFRAALDH1A1KMT2ANPC1
SCHEMBL16654428 0.77 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APOLBCASP1
SCHEMBL27527224 0.76 ALDH1A1 (0.47) PDGFRBPDGFRAALDH1A1MEN1KMT2A
SCHEMBL9377141 0.76 IDH1 (0.43) PDGFRBPDGFRAALDH1A1MEN1KMT2A
SCHEMBL30745056 0.74 ALOX15 (0.52) PDGFRBPDGFRAALDH1A1MEN1KMT2A
SCHEMBL28065783 0.73 TDP1 (0.46) ALDH1A1MEN1KMT2APOLBCASP1
SCHEMBL22045250 0.73 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBCASP1
SCHEMBL24249193 0.72 ALDH1A1 (0.44) PDGFRBPDGFRAALDH1A1MEN1KMT2A
SCHEMBL25065371 0.72 ALDH1A1 (0.41) PDGFRBPDGFRAALDH1A1MEN1KMT2A
SCHEMBL20216792 0.72 PDGFRB (0.74) PDGFRBPDGFRAALDH1A1MEN1KMT2A

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-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN disclosed