SCHEMBL9500262

SCHEMBL9500262

CCOC(=O)C(NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
FFAR4 Q5NUL3 7/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
PLA2G7 Q13093 1/20 0.42
NHERF1 O14745 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL9363391 0.88 CA2 (0.53) FFAR4PLA2G7SLC22A12HDAC8HDAC3
SCHEMBL9499366 0.85 SLC22A12 (0.53) HIF1ALMNAKMT2AMEN1MAPT
SCHEMBL9500286 0.82 SMN1; SMN2 (0.50) HIF1AFFAR4LMNAKMT2ANPSR1
SCHEMBL9499252 0.81 SLC22A12 (0.39) HIF1ALMNAMAPTPLA2G7SLC22A12
SCHEMBL9364311 0.81 CA2 (0.50) FFAR4PLA2G7SLC22A12HDAC8TP53
SCHEMBL9363672 0.80 KMT2A (0.46) HIF1AFFAR4LMNAKMT2ANPSR1
SCHEMBL9363840 0.79 ERAP1 (0.44) FFAR4LMNAKMT2ANPSR1MEN1
SCHEMBL9653416 0.78 SLC22A12 (0.45) FFAR4LMNAKMT2ANPSR1MEN1
SCHEMBL9363828 0.78 CA2 (0.51) FFAR4LMNAKMT2ANPSR1MAPT
SCHEMBL9499726 0.77 SLC22A12 (0.56) HIF1ALMNAKMT2AMEN1MAPT

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