SCHEMBL28170028

SCHEMBL28170028

Cc1ccc(/C=N/Nc2ncccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ RAB9A P51151 13/20 0.58
▸ NPC1 O15118 11/20 0.58
▸ GAA P10253 5/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ TP53 P04637 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.53
▸ MAPT P10636 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ HPGD P15428 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL28170029 1.00 KMT2A (0.63) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL28170025 0.83 RAB9A (0.68) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL28170026 0.83 RAB9A (0.68) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL28170571 0.78 RAB9A (0.52) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL28170572 0.78 RAB9A (0.52) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL17560759 0.76 KMT2A (0.69) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL17560761 0.76 KMT2A (0.69) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL13381008 0.76 MEN1 (0.48) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL11124641 0.75 RAB9A (0.97) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL14832820 0.75 RAB9A (0.97) KMT2AMEN1RAB9ANPC1GAA

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-107106524-A Methods for treating protozoal infections 尼奥酷里私人有限公司 2017-08-29 — — CN disclosed
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