SCHEMBL19278027

SCHEMBL19278027

O=C1NC2CSC(CCCCI)C2N1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HLCS P50747 6/20 0.72
TDP1 Q9NUW8 6/20 0.67
MEN1 O00255 1/20 0.67
ABL1 P00519 1/20 0.67
LMNA P02545 1/20 0.67
PKM P14618 1/20 0.67
IDE P14735 1/20 0.67
MAPK1 P28482 1/20 0.67
KMT2A Q03164 1/20 0.67
RIN1 Q13671 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
CA12 O43570 7/20 0.47
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
CA9 Q16790 7/20 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
SCHEMBL16664701 1.00 HLCS (0.72) HLCSTDP1MEN1ABL1LMNA
SCHEMBL19381630 0.98 HLCS (0.73) HLCSTDP1MEN1ABL1LMNA
SCHEMBL5599921 0.84 HLCS (0.76) HLCSTDP1MEN1ABL1LMNA
SCHEMBL93446 0.84 HLCS (0.76) HLCSTDP1MEN1ABL1LMNA
SCHEMBL10038443 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL19278037 0.84 HLCS (0.72) HLCSTDP1MEN1ABL1LMNA
SCHEMBL423924 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL11248303 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21769329 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL10140308 0.84 HLCS (0.72) HLCSTDP1MEN1ABL1LMNA

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-2017143059-A1 MAX BINDERS AS MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-08-24 WO disclosed