SCHEMBL12835396

SCHEMBL12835396

O=C(O)c1ccc(F)cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 2/20 0.59
KDR P35968 1/20 0.58
GRM4 Q14833 1/20 0.54
PDK1 Q15118 1/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
AVPR2 P30518 1/20 0.51
OXTR P30559 1/20 0.51
AVPR1A P37288 1/20 0.51
SLC6A3 Q01959 4/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
HDAC3 O15379 1/20 0.49
EGFR P00533 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49

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
SCHEMBL12835394 0.95 TMPRSS4 (0.59) TMPRSS4KDRGRM4PDK1MEN1
SCHEMBL12835395 0.88 TMPRSS4 (0.59) TMPRSS4KDRGRM4PDK1MEN1
SCHEMBL12835026 0.86 TMPRSS4 (0.58) TMPRSS4KDRGRM4PDK1MEN1
SCHEMBL12835410 0.86 GRM4 (0.64) TMPRSS4KDRGRM4PDK1MEN1
SCHEMBL12172806 0.85 TAS2R14 (0.54) TMPRSS4MEN1HTTKMT2ANPSR1
SCHEMBL12835398 0.82 TMPRSS4 (0.59) TMPRSS4KDRGRM4PDK1MEN1
SCHEMBL12835397 0.81 TMPRSS4 (0.58) TMPRSS4KDRGRM4PDK1MEN1
SCHEMBL12172800 0.80 TAS2R14 (0.54) TMPRSS4HTTAVPR2OXTRAVPR1A
SCHEMBL22871292 0.80 TMPRSS4 (0.47) TMPRSS4AVPR2OXTRAVPR1AMAPT
SCHEMBL22871324 0.79 AVPR2 (0.55) KMT2AAVPR2OXTRAVPR1ALMNA

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