SCHEMBL9613675

SCHEMBL9613675

N=C(N)c1ccc(C(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCN(C(=N)N)CC4)c3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.63
TSHR P16473 1/20 0.58
RECQL P46063 1/20 0.58
GAA P10253 3/20 0.58
USP2 O75604 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.55
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.53
CASP6 P55212 1/20 0.53
CASP8 Q14790 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL7069547 0.86 F10 (0.76) F10GAAUSP2KMT2AMEN1
SCHEMBL7072134 0.86 F10 (0.63) F10GAAUSP2KMT2AMEN1
SCHEMBL7071910 0.86 F10 (0.63) F10TSHRRECQLGAAUSP2
SCHEMBL7074220 0.85 LMNA (0.71) F10GAAUSP2KMT2AMEN1
Acetic Acid SCHEMBL27525136 0.83 LMNA (0.62) F10GAAUSP2SMN1; SMN2KMT2A
Acetic Acid SCHEMBL27550434 0.82 F10 (0.70) F10GAAUSP2KMT2AMEN1
Acetic Acid SCHEMBL27530032 0.82 F10 (0.59) F10GAAUSP2KMT2AMEN1
Acetic Acid SCHEMBL28744327 0.82 LMNA (0.70) F10GAAUSP2SMN1; SMN2KMT2A
SCHEMBL5735860 0.81 F10 (0.80) F10GAASMN1; SMN2KMT2AMEN1
SCHEMBL7074438 0.81 F10 (0.69) F10KMT2AMEN1LMNAL3MBTL1

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
WO-2012071469-A2 HISTONE DEMETHYLASE INHIBITORS AND USES THEREOF FOR TREATMENT O F CANCER NEVADA CANCER INSTITUTE (US) 2012-05-31 WO disclosed