SCHEMBL27907982

SCHEMBL27907982

O=C(Cc1ccccc1Br)Nc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.63
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ SLC6A3 Q01959 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ ESR1 P03372 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ STAT3 P40763 1/20 0.56
▸ ESR2 Q92731 1/20 0.56
▸ HDAC3 O15379 2/20 0.55
▸ HDAC4 P56524 2/20 0.55
▸ HDAC1 Q13547 2/20 0.55
▸ HDAC7 Q8WUI4 2/20 0.55
▸ HDAC2 Q92769 2/20 0.55
▸ HDAC10 Q969S8 2/20 0.55
▸ HDAC11 Q96DB2 2/20 0.55
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.55
▸ HDAC9 Q9UKV0 2/20 0.55

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
SCHEMBL27926052 0.84 RIOK2 (0.63) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL27925926 0.82 RAB9A (0.62) KMT2AMEN1SMN1; SMN2POLBNPC1
SCHEMBL27907974 0.81 WNT3A (0.60) KMT2AMEN1SLC6A2SLC6A3RAB9A
SCHEMBL27925939 0.80 KMT2A (0.61) GAAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL27925932 0.79 WNT3A (0.59) KMT2AMEN1SLC6A2SLC6A3
SCHEMBL27907868 0.78 KMT2A (0.55) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL6245092 0.78 GAA (1.00) GAAKMT2AMEN1SLC6A2SLC6A3
SCHEMBL4908980 0.78 KMT2A (0.82) GAAKMT2AMEN1SLC6A2SLC6A3
SCHEMBL14324295 0.77 NPC1 (0.59) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL1430541 0.77 GAA (0.76) GAAKMT2AMEN1SLC6A2SLC6A3

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-103172636-A Pyridine-quinazolinone compound and preparation method thereof UNIV SHANGHAI 2013-06-26 — — CN disclosed
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