SCHEMBL9500825

SCHEMBL9500825

COC(=O)C(CO)NC(=O)CS(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.45
AR P10275 1/20 0.41
ERAP1 Q9NZ08 2/20 0.38
IDH2 P48735 1/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
PLA2G7 Q13093 1/20 0.35
GRM4 Q14833 1/20 0.35
KCNN4 O15554 1/20 0.35
FABP5 Q01469 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
BRAF P15056 1/20 0.34
RORC P51449 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL9363640 0.90 SLC22A12 (0.43) SLC22A12ARERAP1IDH2TP53
SCHEMBL9363435 0.89 SLC22A12 (0.45) SLC22A12ARERAP1IDH2TP53
SCHEMBL9501041 0.83 RORC (0.47) SLC22A12ARTP53LMNARORC
SCHEMBL9500279 0.81 KMT2A (0.44) ARIDH2
SCHEMBL9363483 0.81 SLC22A12 (0.44) SLC22A12ARERAP1IDH2TP53
SCHEMBL9503137 0.81 SLC22A12 (0.50) SLC22A12ARERAP1TP53LMNA
SCHEMBL9499252 0.80 SLC22A12 (0.39) SLC22A12ARTP53LMNAPLA2G7
SCHEMBL9503090 0.80 SLC22A12 (0.43) SLC22A12ARERAP1BRAFRORC
SCHEMBL9501130 0.79 SLC22A12 (0.57) SLC22A12ERAP1IDH2FABP5
SCHEMBL9368675 0.79 AR (0.43) SLC22A12ARIDH2GRM4RORC

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
US-5210290-A NMR diagnostic aid SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-11 US disclosed