SCHEMBL18985286

SCHEMBL18985286

C=CC(=O)Nc1cncs1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.40
GSTO1 P78417 7/20 0.39
F13A1 P00488 1/20 0.38
LMNA P02545 1/20 0.38
TGM1 P22735 1/20 0.38
TGM3 Q08188 1/20 0.38
CD38 P28907 1/20 0.37
CSF1R P07333 2/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL4955773 0.76
SCHEMBL25475495 0.68 CSF1R (0.35) CD38CSF1RKMT2A
SCHEMBL1379743 0.68 GAA (0.50) TGM2LMNAKMT2A
SCHEMBL1553945 0.67
SCHEMBL21585659 0.67 TGM2 (0.55) TGM2F13A1LMNATGM1TGM3
Bicarbonate SCHEMBL28121604 0.67 KMT2A (0.34) CD38CSF1RKMT2A
SCHEMBL6235734 0.67
SCHEMBL11997717 0.67 KMT2A (0.50) KMT2A
SCHEMBL31536297 0.67 KMT2A (0.50) KMT2A
SCHEMBL6424749 0.67 NPC1 (0.54) GSTO1LMNAKMT2A

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-2017102014-A1 PROPENAMIDE THIOPHENE DERIVATIVES AS FLAVIVIRUS INHIBITORS AND THEIR USE UNIVERSITE D'AIX-MARSEILLE (FR) 2017-06-22 WO disclosed