SCHEMBL14451682

SCHEMBL14451682

CC(C)(Sc1nc(CCNc2ncc(-c3cccc(O)c3)cn2)cs1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.35
ABL1 P00519 1/20 0.34
STAT6 P42226 1/20 0.33
MAPT P10636 3/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CG P48736 2/20 0.33
PIK3CB P42338 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SREBF2 Q12772 1/20 0.33
PPARA Q07869 1/20 0.33
FYN P06241 1/20 0.33
THRB P10828 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
POLB P06746 1/20 0.32
LHCGR P22888 1/20 0.32

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
SCHEMBL12273067 0.91 SLC22A12 (0.37) TP53MAPTLMNASMN1; SMN2
SCHEMBL2414510 0.89 PPARA (0.41) TP53PPARAPOLB
Hydrochloric Acid SCHEMBL2414184 0.89 PPARA (0.41) TP53PPARAPOLB
SCHEMBL12273185 0.87 SLC22A12 (0.43) TP53MAPTLMNAPPARA
Trifluoroacetic Acid SCHEMBL2412639 0.87 LMNA (0.36) TP53MAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL2419340 0.86 SLC22A12 (0.43) TP53MAPTLMNAPPARA
SCHEMBL12271943 0.86 PIM1 (0.40) TP53FYN
SCHEMBL2415288 0.86 CTSA (0.39) TP53MAPTLMNAPPARATHRB
Hydrochloric Acid SCHEMBL2414359 0.86 PIM1 (0.39) TP53FYN
SCHEMBL12273188 0.85 SLC22A12 (0.42) TP53ABL1MAPTPPARA

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
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP disclosed