SCHEMBL6248337

SCHEMBL6248337

[CH2]Sc1ncc(C#N)c(N)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.62
GAA P10253 3/20 0.57
KMT2A Q03164 3/20 0.57
HSD17B10 Q99714 2/20 0.57
TSHR P16473 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CSNK1A1 P48729 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
ALDH1A1 P00352 5/20 0.54
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.38

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
SCHEMBL212306 0.81 TP53 (0.58) TP53GAAKMT2AHSD17B10TSHR
SCHEMBL810345 0.77 KMT2A (0.69) TP53GAAKMT2AHSD17B10TSHR
SCHEMBL263835 0.74 CSNK1A1 (0.64) TP53GAAKMT2AHSD17B10TSHR
SCHEMBL811481 0.72 ALDH1A1 (0.78) TP53GAAKMT2AHSD17B10TSHR
SCHEMBL584580 0.71 CSNK1A1 (0.60) TP53GAAKMT2AHSD17B10TSHR
SCHEMBL19837459 0.71 CSNK1A1 (0.60) TP53GAAKMT2AHSD17B10TSHR
SCHEMBL28939398 0.71 CSNK1A1 (0.60) TP53GAAKMT2AHSD17B10TSHR
SCHEMBL1143429 0.71 CSNK1A1 (1.00) TP53GAAKMT2AHSD17B10TSHR
SCHEMBL1143690 0.71 CSNK1A1 (0.60) TP53GAAKMT2AHSD17B10TSHR
SCHEMBL31492947 0.71 CSNK1A1 (0.60) TP53GAAKMT2AHSD17B10TSHR

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-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed