SCHEMBL18970518

SCHEMBL18970518

C=C(c1ccccc1C)c1sc2ccccc2c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HSD11B1 P28845 1/20 0.43
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
LIMK1 P53667 2/20 0.39
F10 P00742 3/20 0.38
MAOB P27338 1/20 0.37
GPR3 P46089 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCL1 Q07820 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
SCHEMBL20368983 0.78 RXFP1 (0.44) PRNPRXFP1HSD11B1LMNAMAPK1
SCHEMBL9111915 0.78 RXFP1 (0.53) PRNPRXFP1HSD11B1LMNAMAPK1
SCHEMBL21507605 0.78 PRNP (0.53) PRNPRXFP1HSD11B1LMNAMAPK1
SCHEMBL24285711 0.76 GPR3 (0.39) PRNPRXFP1LMNAMAPK1F10
SCHEMBL2771852 0.72 MAOA (0.50) MAOBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16598796 0.72 RXFP1 (0.73) PRNPRXFP1HSD11B1LMNAMAPK1
SCHEMBL21708968 0.71 RXFP1 (0.50) PRNPRXFP1HSD11B1LMNAMAPK1
SCHEMBL27365531 0.71 RXFP1 (0.47) PRNPRXFP1HSD11B1LMNAMAPK1
SCHEMBL2610250 0.70 RXFP1 (0.61) PRNPRXFP1HSD11B1LMNAMAPK1
SCHEMBL29939764 0.70 RXFP1 (0.71) PRNPRXFP1HSD11B1LMNAMAPK1

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-2017100712-A1 BENZOTHIOPHENE-BASED SELECTIVE ESTROGEN RECEPTOR DOWNREGULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-06-15 WO disclosed