SCHEMBL9615041

SCHEMBL9615041

NC(=S)NN(CC=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
TP53 P04637 1/20 0.40
TYR P14679 1/20 0.40
TSHR P16473 1/20 0.40
TAS2R38 P59533 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 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
SCHEMBL28059480 0.79 ALDH1A1 (0.45) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL9446580 0.79 ALDH1A1 (0.51) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL11598307 0.78 ALDH1A1 (0.41) ALDH1A1TP53TYRTSHRTAS2R38
Water SCHEMBL28266025 0.77 ALDH1A1 (0.50) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL15775370 0.77 ALDH1A1 (0.44) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL8526736 0.71 ALDH1A1 (0.46) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3797066 0.70 KMT2A (0.59) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL1955764 0.70 ALDH1A1 (0.40) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL9082914 0.69 ALDH1A1 (0.50) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL11875734 0.67 ALDH1A1 (0.48) ALDH1A1TP53TYRTSHRTAS2R38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506697-A1 POLYURETHANE-BASED DOMESTIC UNIVERSAL ADHESIVE. HENKEL KGAA (DE) 1992-10-07 EP disclosed
WO-1991009919-A1 POLYURETHANE-BASED DOMESTIC UNIVERSAL ADHESIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-07-11 WO disclosed