SCHEMBL11765865

SCHEMBL11765865

COC(=O)NSc1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
RAB9A P51151 5/20 0.42
LMNA P02545 4/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 3/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4206138 0.79 POLB (0.43) MAPTRAB9ALMNATSHRSMN1; SMN2
Hydrogen Sulfide SCHEMBL28123731 0.78 POLB (0.42) MAPTRAB9ALMNATSHRSMN1; SMN2
SCHEMBL9059810 0.78 SMN1; SMN2 (0.42) MAPTRAB9ALMNATSHRSMN1; SMN2
SCHEMBL30476122 0.75 EPHX1 (0.37) MAPTRAB9ALMNATSHRSMN1; SMN2
SCHEMBL11273200 0.74 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29067024 0.72 ALDH1A1 (0.50) MAPTTSHRL3MBTL1ALDH1A1HSD17B10
SCHEMBL8043276 0.69 ACHE (0.43) MAPTRAB9ALMNATSHRSMN1; SMN2
O-Xylene SCHEMBL27872110 0.68 CTSD (0.44) MAPTRAB9ALMNATSHRSMN1; SMN2
Bicarbonate SCHEMBL31082134 0.67 L3MBTL1 (0.45) RAB9ATSHRSMN1; SMN2NPC1L3MBTL1
SCHEMBL5185583 0.67 HAO1 (0.37) MAPTRAB9ALMNATSHRSMN1; SMN2

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
US-3997549-A INSECTICIDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1976-12-14 US disclosed