SCHEMBL6965453

SCHEMBL6965453

O=C(Nc1[c]n[nH]c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NAMPT P43490 2/20 0.45
MDM4 O15151 1/20 0.45
TP53 P04637 1/20 0.45
JAK2 O60674 1/20 0.45
TYK2 P29597 1/20 0.45
PKM P14618 2/20 0.44
MAPT P10636 1/20 0.44
GRIK1 P39086 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BCAT2 O15382 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
PTPN1 P18031 1/20 0.43
PGR P06401 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SIRT1 Q96EB6 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL7364792 0.70 GAA (0.46) MEN1KMT2ATP53PTPN1NPC1
SCHEMBL429187 0.68 PTPN1 (0.48) MEN1KMT2ANAMPTMDM4TP53
SCHEMBL11128707 0.68 MEN1 (0.56) MEN1KMT2AMDM4TP53JAK2
SCHEMBL2730773 0.68 PIM1 (0.72) MEN1KMT2ANAMPTJAK2TYK2
SCHEMBL18293133 0.67 MEN1 (0.55) MEN1KMT2ANAMPTTP53JAK2
SCHEMBL11831465 0.66 MEN1 (0.64) MEN1KMT2ATP53JAK2TYK2
SCHEMBL3299661 0.66 ADORA1 (0.70) MEN1KMT2AJAK2TYK2BCAT2
SCHEMBL2801723 0.66 KMT2A (0.54) MEN1KMT2AMDM4TP53JAK2
SCHEMBL27663452 0.66 HTT (0.55) MEN1KMT2ATP53MAPTNPC1
SCHEMBL696662 0.66 KMT2A (0.58) MEN1KMT2AJAK2TYK2BCAT2

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed