SCHEMBL24696014

SCHEMBL24696014

Cc1ccccc1-c1csc(C(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.51
ATP4B P51164 3/20 0.51
C1S P09871 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
IDO1 P14902 1/20 0.39
METAP2 P50579 1/20 0.39
MRE11 P49959 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL14274836 0.82 CYP1A2 (0.41) ATP4AATP4BPIK3CDPIK3CAPIK3CB
SCHEMBL12591884 0.81 CYP19A1 (0.53) ATP4AATP4BTLR7MAPTKMT2A
SCHEMBL12591900 0.81 MPL (0.60) PDE3BPDE3AIDO1SLC6A3TLR7
SCHEMBL24696020 0.81 HSD17B10 (0.60) ATP4AATP4BPIK3CDPIK3CAPIK3CB
SCHEMBL10052161 0.81 RAB9A (0.44) SLC6A3TLR7MAPTKMT2AMEN1
SCHEMBL18997958 0.80 MEN1 (0.51) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL24696015 0.80 MAPT (0.54) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL2752581 0.80 MAPT (0.46) SLC6A3TLR7MAPTKMT2AMEN1
SCHEMBL10094543 0.79 CYP19A1 (0.57) ATP4AATP4BC1SMETAP2MAPT
SCHEMBL668132 0.79 ATP4A (0.55) ATP4AATP4BC1SMRE11MAPT

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-2022256419-A1 DUAL WNT SIGNALING PATHWAY INHIBITORS AND AMPK ACTIVATORS FOR TREATMENTS OF DISEASE UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-12-08 WO disclosed