SCHEMBL24696015

SCHEMBL24696015

Cc1ccc(-c2csc(C(C)C)n2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP17A1 P05093 1/20 0.50
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
ATM Q13315 2/20 0.48
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AR P10275 1/20 0.39
EIF4E P06730 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
CASR P41180 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MPL P40238 1/20 0.37

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
SCHEMBL18997958 0.87 MEN1 (0.51) MAPTNPSR1CYP17A1MEN1KMT2A
SCHEMBL24696014 0.80 ATP4A (0.51) MAPTMEN1KMT2AATMNPC1
SCHEMBL1764529 0.80 MAPT (0.59) MAPTNPSR1CYP17A1MEN1KMT2A
SCHEMBL3130593 0.78 MAPT (0.61) MAPTNPSR1CYP17A1MEN1KMT2A
SCHEMBL14274836 0.76 CYP1A2 (0.41) MAPTNPSR1MEN1KMT2AATM
SCHEMBL2609421 0.76 RAB9A (0.53) MAPTMEN1KMT2AATMNPC1
SCHEMBL19625306 0.75 MAPT (0.55) MAPTNPSR1CYP17A1MEN1KMT2A
SCHEMBL23986459 0.74 ATP4A (0.54) MAPTMEN1KMT2AATMNPC1
SCHEMBL6644407 0.74 CYP17A1 (0.62) MAPTNPSR1CYP17A1MEN1KMT2A
SCHEMBL2609412 0.73 NPC1 (0.49) MAPTMEN1KMT2ANPC1RAB9A

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