SCHEMBL7984331

SCHEMBL7984331

Cc1c(CC(=O)c2ccccc2)sc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
PRNP P04156 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 3/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
CYP1A2 P05177 1/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
APAF1 O14727 1/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL30693720 0.85 PRNP (0.49) HSD11B1PRNPRXFP1KDM4EKMT2A
SCHEMBL586189 0.85 PRNP (0.49) HSD11B1PRNPRXFP1KDM4EKMT2A
SCHEMBL12359739 0.82 PRNP (0.45) HSD11B1PRNPRXFP1ALDH1A1LMNA
SCHEMBL4775819 0.81 TAS1R3 (0.44) HSD11B1PRNPRXFP1KDM4EGLA
SCHEMBL5739446 0.81 RXFP1 (0.44) HSD11B1PRNPRXFP1ALDH1A1TAS1R3
SCHEMBL13911292 0.79 TAS1R3 (0.43) HSD11B1PRNPRXFP1GLAKMT2A
SCHEMBL11199425 0.78 TAS1R3 (0.45) HSD11B1PRNPRXFP1KDM4EGLA
SCHEMBL13900908 0.78 TAS1R3 (0.43) HSD11B1PRNPRXFP1ALDH1A1TAS1R3
SCHEMBL2324454 0.78 TAS1R3 (0.45) HSD11B1PRNPRXFP1ALDH1A1TAS1R3
SCHEMBL12374285 0.77 TAS1R3 (0.42) HSD11B1PRNPRXFP1KDM4EGLA

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 disclosed