SCHEMBL28254690

SCHEMBL28254690

Cc1ccc(N/N=C/c2ccc(C)nc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.47
▸ KMT2A Q03164 7/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ PKM P14618 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ RAD52 P43351 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ LMNA P02545 6/20 0.42
▸ MAPT P10636 6/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ GAA P10253 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ ALOX12 P18054 1/20 0.40

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
SCHEMBL28253899 0.85 MEN1 (0.42) GFERKMT2AMEN1PKMPOLB
SCHEMBL28254689 0.83 MEN1 (0.42) GFERKMT2AMEN1PKMPOLB
SCHEMBL28255841 0.82 GFER (0.65) GFERKMT2AMEN1POLBLMNA
SCHEMBL28254766 0.81 MEN1 (0.40) GFERKMT2AMEN1PKMPOLB
SCHEMBL28254764 0.80 PKM (0.39) GFERKMT2AMEN1PKMPOLB
SCHEMBL28254732 0.79 GFER (0.46) GFERKMT2AMEN1PKMPOLB
SCHEMBL28255840 0.78 GFER (0.45) GFERKMT2AMEN1PKMPOLB
SCHEMBL28254744 0.75 GAA (0.49) GFERKMT2AMEN1POLBLMNA
SCHEMBL28254787 0.75 KMT2A (0.49) GFERKMT2AMEN1PKMPOLB
SCHEMBL19563021 0.71 KMT2A (0.40) GFERKMT2AMEN1PKMPOLB

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-108863914-A The hydrazide derivatives and application thereof that pyridine replaces 广东东阳光药业有限公司 2018-11-23 — — CN disclosed
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