SCHEMBL30396306

SCHEMBL30396306

Cc1cc(OC(=O)c2ccccc2)n(-c2nc(C)c(C)nc2C)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.52
▸ MAPT P10636 6/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ GAA P10253 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ KDM5A P29375 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ ALOX12 P18054 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30396310 0.81 HSD17B10 (0.47) KMT2AMAPTALDH1A1TP53TDP1
SCHEMBL28988936 0.81 HSD17B10 (0.47) KMT2AMAPTALDH1A1TP53TDP1
SCHEMBL31681892 0.80 SIRT2 (0.34) KMT2AMAPTALOX15GAAALDH1A1
SCHEMBL31681891 0.80 SIRT2 (0.34) KMT2AMAPTALOX15GAAALDH1A1
SCHEMBL28988941 0.80 SIRT2 (0.34) KMT2AMAPTALOX15GAAALDH1A1
SCHEMBL29279205 0.76 ALDH1A1 (0.54) KMT2AMAPTGAAALDH1A1MEN1
SCHEMBL28988933 0.76 POLB (0.43) KMT2AMAPTGAAALDH1A1TDP1
SCHEMBL31681887 0.76 POLB (0.43) KMT2AMAPTGAAALDH1A1TDP1
SCHEMBL14573716 0.75 KMT2A (0.51) KMT2AMAPTALOX15GAAALDH1A1
SCHEMBL22510050 0.73 KMT2A (0.55) KMT2AMAPTALOX15GAAALDH1A1

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-115991698-B Heterocyclic compound and preparation method and application thereof 广东中科药物研究有限公司 2024-03-29 — — CN disclosed
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