SCHEMBL9409003

SCHEMBL9409003

CCC(=O)Nc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.54
ATM Q13315 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 2/20 0.51
PTPN1 P18031 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
NPC1 O15118 2/20 0.51
PGR P06401 1/20 0.51
KDM4E B2RXH2 2/20 0.50
CYP3A4 P08684 1/20 0.49
HTT P42858 2/20 0.47

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
SCHEMBL98001 0.89 GAA (0.56) TP53MEN1KMT2AMAPTATM
SCHEMBL13989319 0.82 GAA (0.73) TP53MEN1KMT2AMAPTATM
SCHEMBL16201474 0.81 KMT2A (0.77) TP53MEN1KMT2AMAPTATM
SCHEMBL9409010 0.81 TP53 (0.61) TP53MEN1KMT2AMAPTGAA
SCHEMBL3140177 0.79 SMN1; SMN2 (0.76) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL1511065 0.79 CYP1A1 (0.62) TP53MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL23063828 0.79 ALDH1A1 (0.65) TP53MEN1KMT2AMAPTATM
SCHEMBL11181809 0.79 TP53 (0.58) TP53MEN1KMT2AMAPTATM
SCHEMBL4803134 0.77 MEN1 (0.69) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL6609313 0.76 SMN1; SMN2 (0.58) TP53KMT2AMAPTGAASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6298923-A None JP disclosed
JP-H06298923-A AROMATIC POLYCARBONATE MITSUI TOATSU CHEM INC 1994-10-25 JP disclosed