SCHEMBL7971233

SCHEMBL7971233

Cc1c(C(=O)CCNc2ccncc2)sc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD11B1 P28845 1/20 0.48
RXFP1 Q9HBX9 2/20 0.43
PRNP P04156 1/20 0.43
LIMK1 P53667 1/20 0.39
F10 P00742 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
THRB P10828 1/20 0.37
OGG1 O15527 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL7987810 0.99 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2HSD11B1
Hydrochloric Acid SCHEMBL7970754 0.86 HSD11B1 (0.45) NPC1RAB9ASMN1; SMN2HSD11B1RXFP1
SCHEMBL7980700 0.82 HSD11B1 (0.47) MAPTNPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL7984156 0.77 HSD11B1 (0.61) MAPTSMN1; SMN2HSD11B1RXFP1PRNP
SCHEMBL7970877 0.76 HSD11B1 (0.51) MAPTNPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL7971230 0.73 HSD11B1 (0.48) MAPTNPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL4834908 0.72 HSD11B1 (0.62) MAPTSMN1; SMN2HSD11B1RXFP1PRNP
SCHEMBL13963145 0.72 HSD11B1 (0.62) MAPTSMN1; SMN2HSD11B1RXFP1PRNP
Hydrochloric Acid SCHEMBL7987803 0.72 HSD11B1 (0.47) MAPTNPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL1509582 0.72 TBXAS1 (0.53) SMN1; SMN2HSD11B1RXFP1PRNPMEN1

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
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 WO claimed