SCHEMBL7971230

SCHEMBL7971230

Cc1c(C(=O)CC(N)c2ccncc2)sc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
RXFP1 Q9HBX9 2/20 0.43
PRNP P04156 1/20 0.43
MAPT P10636 6/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LIMK1 P53667 2/20 0.39
OGG1 O15527 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
IKBKB O14920 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 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 SCHEMBL7987803 0.99 HSD11B1 (0.47) HSD11B1RXFP1PRNPMAPTNPC1
Hydrochloric Acid SCHEMBL7970749 0.86 HSD11B1 (0.45) HSD11B1RXFP1PRNPMAPTNPC1
SCHEMBL718477 0.77 HSD11B1 (0.58) HSD11B1RXFP1PRNPMAPTNPC1
SCHEMBL7971228 0.76 PRNP (0.43) HSD11B1RXFP1PRNPMAPTNPC1
Hydrochloric Acid SCHEMBL7987802 0.75 PRNP (0.42) HSD11B1RXFP1PRNPMAPTNPC1
SCHEMBL4775261 0.74 HSD11B1 (0.61) HSD11B1RXFP1PRNPMAPTSMN1; SMN2
SCHEMBL7971233 0.73 MAPT (0.48) HSD11B1RXFP1PRNPMAPTNPC1
Hydrochloric Acid SCHEMBL4775352 0.73 HSD11B1 (0.59) HSD11B1RXFP1PRNPMAPTSMN1; SMN2
SCHEMBL4834908 0.72 HSD11B1 (0.62) HSD11B1RXFP1PRNPMAPTSMN1; SMN2
SCHEMBL13963145 0.72 HSD11B1 (0.62) HSD11B1RXFP1PRNPMAPTSMN1; 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
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 WO claimed