SCHEMBL9879258

SCHEMBL9879258

CCCc1c(C)nc(Nc2ccccc2C)[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
HTT P42858 4/20 0.62
NPSR1 Q6W5P4 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
LMNA P02545 3/20 0.62
XBP1 P17861 2/20 0.62
HSD17B10 Q99714 1/20 0.62
ALOX15 P16050 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.53
PDE9A O76083 2/20 0.48
TSHR P16473 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 3/20 0.45
NAMPT P43490 1/20 0.45
TNKS2 Q9H2K2 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 2/20 0.43
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
SCHEMBL9879255 0.86 MEN1 (0.55) MAPTHTTNPSR1SMN1; SMN2LMNA
SCHEMBL9878162 0.82 MEN1 (0.52) MAPTHTTNPSR1SMN1; SMN2LMNA
SCHEMBL9878778 0.81 ALDH1A1 (0.61) MAPTHTTNPSR1SMN1; SMN2LMNA
SCHEMBL9879015 0.80 KMT2A (0.60) MAPTHTTNPSR1SMN1; SMN2LMNA
SCHEMBL9878159 0.79 MEN1 (0.52) MAPTHTTNPSR1SMN1; SMN2LMNA
SCHEMBL15840587 0.77 MAPT (0.52) MAPTHTTNPSR1SMN1; SMN2LMNA
SCHEMBL9879083 0.76 MEN1 (0.56) MAPTHTTNPSR1SMN1; SMN2LMNA
SCHEMBL9879088 0.76 GAA (0.75) MAPTHTTSMN1; SMN2LMNAXBP1
SCHEMBL9776663 0.72 KMT2A (0.65) MAPTSMN1; SMN2MEN1KMT2APDE9A
SCHEMBL15840770 0.72 MAPT (0.62) MAPTHTTNPSR1SMN1; SMN2LMNA

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-1991018887-A1 DIAMINOPYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1991-12-12 WO disclosed