SCHEMBL28254787

SCHEMBL28254787

Cc1ccc(N/N=C/c2nc(C)cc(C)n2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ PKM P14618 1/20 0.44
▸ GFER P55789 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL28254744 0.81 GAA (0.49) KMT2AMEN1GFERPOLBLMNA
SCHEMBL19563021 0.77 KMT2A (0.40) KMT2AMEN1PKMGFERPOLB
SCHEMBL28253901 0.76 KMT2A (0.41) KMT2AMEN1PKMGFERPOLB
SCHEMBL28254690 0.75 GFER (0.47) KMT2AMEN1PKMGFERPOLB
SCHEMBL28254732 0.74 GFER (0.46) KMT2AMEN1PKMGFERPOLB
SCHEMBL28253899 0.74 MEN1 (0.42) KMT2AMEN1PKMGFERPOLB
SCHEMBL28255840 0.73 GFER (0.45) KMT2AMEN1PKMGFERPOLB
SCHEMBL28255841 0.71 GFER (0.65) KMT2AMEN1GFERPOLBLMNA
SCHEMBL28253900 0.71 MEN1 (0.45) KMT2AMEN1GFERLMNARAB9A
SCHEMBL16067425 0.70 RAPGEF4 (0.43) KMT2AMEN1LMNARAB9AALDH1A1

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
Send feedback