SCHEMBL9871952

SCHEMBL9871952

Cc1ccccc1Nc1cccc(N2CSCN(c3cccc(Nc4ccccc4C)c3)C2=S)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK10 P53779 2/20 0.35
DDX3X O00571 2/20 0.35
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
SLC2A1 P11166 1/20 0.33
TNNI3K Q59H18 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL9871945 0.85 CCNA2 (0.37) LMNASMN1; SMN2MEN1POLBKMT2A
SCHEMBL9872551 0.84 SMN1; SMN2 (0.36) LMNASMN1; SMN2MEN1POLBKMT2A
SCHEMBL9429347 0.73 DDX3X (0.56) MEN1KMT2AMAPK10DDX3XMAPK13
SCHEMBL9871548 0.69 ALDH1A1 (0.45) LMNASMN1; SMN2MEN1POLBKMT2A
SCHEMBL5082029 0.69 DDX3X (0.62) LMNASMN1; SMN2MEN1KMT2ADDX3X
SCHEMBL9872546 0.69 CCNA2 (0.41) LMNASMN1; SMN2MEN1POLBKMT2A
SCHEMBL3690304 0.68 NPSR1 (0.64) MAPK10DDX3XMAPK13MAPK12MAPK11
SCHEMBL3234606 0.66 RAPGEF4 (0.61) MEN1POLBKMT2ADDX3XMAPK13
SCHEMBL20609306 0.66 RAPGEF4 (0.59) LMNAMEN1KMT2ADDX3XMAPK13
SCHEMBL28695682 0.66 FADS1 (0.62) LMNASMN1; SMN2MEN1KMT2ADDX3X

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
US-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 US disclosed