SCHEMBL7136011

SCHEMBL7136011

CC(C(O)=S)c1ccc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 3/20 0.45
PRNP P04156 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK10 P53779 1/20 0.44
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 2/20 0.42
KMT2A Q03164 2/20 0.42
MGAM O43451 1/20 0.42
NCF1 P14598 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TOP2A P11388 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL11875642 0.84 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNAPRNPNPSR1
SCHEMBL3673078 0.82 KDM4E (0.55) ALDH1A1HSD17B10LMNAPRNPNPSR1
SCHEMBL29457163 0.77 CYP1A2 (0.47) ALDH1A1HSD17B10LMNAPRNPNPSR1
SCHEMBL1261383 0.77 ALDH1A1 (0.54) ALDH1A1HSD17B10LMNAPRNPNPSR1
SCHEMBL827081 0.77 CYP1A2 (0.52) ALDH1A1HSD17B10LMNAPRNPNPSR1
Bromide SCHEMBL29161153 0.75 CYP1A2 (0.50) ALDH1A1HSD17B10LMNAPRNPNPSR1
Fluoride SCHEMBL28013942 0.75 CYP1A2 (0.50) ALDH1A1HSD17B10LMNAPRNPNPSR1
SCHEMBL11853372 0.75 KMT2A (0.40) ALDH1A1HSD17B10LMNAKDM4EMAPT
SCHEMBL4138519 0.74 ALDH1A1 (0.51) ALDH1A1HSD17B10LMNAPRNPNPSR1
SCHEMBL7469957 0.74 S1PR3 (0.47) ALDH1A1HSD17B10LMNAPRNPNPSR1

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
EP-1327871-A1 Method and apparatus for smell detection ROBERT BOSCH GMBH (DE) 2003-07-16 EP disclosed