SCHEMBL28253901

SCHEMBL28253901

COc1ccnc(/C=N/Nc2ccc(C)cc2C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.41
▸ MEN1 O00255 7/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GAA P10253 6/20 0.38
▸ RAB9A P51151 5/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ NFKB1 P19838 2/20 0.37
▸ NFKB2 Q00653 2/20 0.37
▸ RELA Q04206 2/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDR P35968 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ GFER P55789 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL28254744 0.81 GAA (0.49) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL28254787 0.76 KMT2A (0.49) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL28254766 0.73 MEN1 (0.40) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL28253899 0.69 MEN1 (0.42) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL19563021 0.69 KMT2A (0.40) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL28253900 0.69 MEN1 (0.45) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL28255839 0.68 NQO2 (0.43) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL21294997 0.68 CHRM5 (0.53) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL13868460 0.68 CHRM5 (0.53) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL28254690 0.67 GFER (0.47) KMT2AMEN1KDM4EMAPTSMN1; 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-108863948-A The hydrazide derivatives and application thereof that pyrimidine replaces 广东东阳光药业有限公司 2018-11-23 — — CN disclosed
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