SCHEMBL4049980

SCHEMBL4049980

CSc1cc(SC)c(N)c(C)c1N.Cc1ccc(N)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.61
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 5/20 0.38
TSHR P16473 5/20 0.38
MAPT P10636 3/20 0.35
PDE10A Q9Y233 1/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
RECQL P46063 1/20 0.33
POLB P06746 2/20 0.32
PLA2G7 Q13093 1/20 0.32
MAPK1 P28482 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL15010 0.78
SCHEMBL5956120 0.78 CASP1 (1.00) CASP1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL29354063 0.78
Hydrochloric Acid SCHEMBL7132403 0.76 CASP1 (0.94) CASP1ALDH1A1TDP1CYP3A4TSHR
Water SCHEMBL28815175 0.76 CASP1 (0.94) CASP1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL9653420 0.76 CASP1 (0.94) CASP1ALDH1A1TDP1CYP3A4TSHR
Fluoride SCHEMBL27511431 0.76 CASP1 (0.94) CASP1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL30584238 0.76 CASP1 (0.94) CASP1ALDH1A1TDP1CYP3A4TSHR
Water SCHEMBL3857842 0.76 CASP1 (0.94) CASP1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL27489227 0.76

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985750-B1 BELT FOR PAPERMAKING MACHINE ICHIKAWA CO LTD (JP) 2009-11-11 EP disclosed
US-20090038770-A1 BELT FOR PAPERMAKING MACHINE ICHIKAWA CO., LTD. (JP) 2009-02-12 US disclosed
EP-1985750-A1 BELT FOR PAPERMAKING MACHINE ICHIKAWA CO.,LTD. (JP) 2008-10-29 EP disclosed