SCHEMBL12835397

SCHEMBL12835397

Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.58
KDR P35968 1/20 0.57
GRM4 Q14833 1/20 0.53
PDK1 Q15118 1/20 0.52
MAPT P10636 5/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RAB9A P51151 2/20 0.51
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC3 O15379 1/20 0.51
EGFR P00533 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51

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
SCHEMBL12835026 0.95 TMPRSS4 (0.58) TMPRSS4KDRGRM4PDK1MAPT
SCHEMBL12172804 0.88 TAS2R14 (0.55) TMPRSS4MAPTLMNAMEN1KMT2A
SCHEMBL330566 0.86 TMPRSS4 (0.77) TMPRSS4KDRGRM4PDK1MAPT
SCHEMBL12835394 0.86 TMPRSS4 (0.59) TMPRSS4KDRGRM4PDK1MAPT
SCHEMBL12835398 0.86 TMPRSS4 (0.59) TMPRSS4KDRGRM4PDK1MAPT
SCHEMBL12835410 0.85 GRM4 (0.64) TMPRSS4KDRGRM4PDK1MAPT
SCHEMBL12172808 0.82 TAS2R14 (0.55) TMPRSS4MAPTLMNAMEN1KMT2A
SCHEMBL12835395 0.81 TMPRSS4 (0.59) TMPRSS4KDRGRM4PDK1MAPT
SCHEMBL12835396 0.81 TMPRSS4 (0.59) TMPRSS4KDRGRM4PDK1MAPT
SCHEMBL18804918 0.79 GRM4 (0.63) TMPRSS4KDRGRM4PDK1MAPT

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-2011026107-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-03-03 WO disclosed