SCHEMBL5239154

SCHEMBL5239154

NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MMP1 P03956 2/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP13 P45452 1/20 0.61
MMP7 P09237 1/20 0.57
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
GAA P10253 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.51
POLB P06746 2/20 0.50
RECQL P46063 2/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL745591 0.87 ALDH1A1 (0.64) ALDH1A1MMP1CA1CA2MMP2
SCHEMBL5183959 0.86 CA1 (0.58) ALDH1A1MMP1CA1CA2MMP2
SCHEMBL5183968 0.85 CA1 (0.57) ALDH1A1MMP1CA1CA2MMP2
SCHEMBL6848797 0.81 KAT6A (0.64) ALDH1A1MMP1MMP2MMP9MEN1
SCHEMBL13753685 0.79 CA1 (0.64) ALDH1A1MMP1CA1CA2MMP2
SCHEMBL10478546 0.79 GALR3 (0.49) GAAMEN1KMT2ALMNA
SCHEMBL5185012 0.79 SLC1A3 (0.59) ALDH1A1MMP1CA1CA2MMP2
SCHEMBL7114646 0.78 MEP1B (0.47) KMT2ALMNACYP2C19
SCHEMBL6850559 0.78 KAT6A (0.61) SLC1A3SLC1A2
SCHEMBL5184399 0.78 NPSR1 (0.62) ALDH1A1MMP1CA1CA2MMP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP claimed
JP-2006516145-A 2006-06-22 JP claimed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO claimed