SCHEMBL28033892

SCHEMBL28033892

S=C(Nc1ccccc1)NC1CCCCC1NC(=S)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.64
MAPT P10636 6/20 0.64
GAA P10253 5/20 0.64
LMNA P02545 4/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
MAPK1 P28482 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
ALDH1A1 P00352 5/20 0.57
CYP3A4 P08684 2/20 0.57
TAS2R38 P59533 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ALOX12 P18054 4/20 0.56
HTT P42858 2/20 0.55
TP53 P04637 1/20 0.55
EPHX2 P34913 1/20 0.54
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
NOX1 Q9Y5S8 1/20 0.53
CYP1A2 P05177 1/20 0.51

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
SCHEMBL5452974 0.90 SMN1; SMN2 (0.57) SMN1; SMN2MAPTGAALMNAKMT2A
SCHEMBL14851122 0.89 SMN1; SMN2 (0.56) SMN1; SMN2MAPTGAALMNAKMT2A
SCHEMBL14855962 0.89 SMN1; SMN2 (0.56) SMN1; SMN2MAPTGAALMNAKMT2A
SCHEMBL3887808 0.87 MAOB (0.53) SMN1; SMN2MAPTGAALMNAKMT2A
SCHEMBL5447885 0.85 SMN1; SMN2 (0.84) SMN1; SMN2MAPTGAALMNAKMT2A
SCHEMBL4305747 0.85 MAPT (0.52) SMN1; SMN2MAPTGAALMNAKMT2A
SCHEMBL4305748 0.85 MAPT (0.52) SMN1; SMN2MAPTGAALMNAKMT2A
SCHEMBL15250703 0.85 MAPT (0.52) SMN1; SMN2MAPTGAALMNAKMT2A
SCHEMBL5455050 0.84 SMN1; SMN2 (0.88) SMN1; SMN2MAPTGAALMNAKMT2A
SCHEMBL7098006 0.82 IDO1 (0.53) SMN1; SMN2MAPTGAALMNAKMT2A

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
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed