SCHEMBL6948202

SCHEMBL6948202

CNCCCNC(=O)c1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.57
EGLN1 Q9GZT9 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NAMPT P43490 1/20 0.54
TMEM97 Q5BJF2 1/20 0.53
EPHX2 P34913 2/20 0.52
RAB9A P51151 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
DPP4 P27487 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
CD274 Q9NZQ7 1/20 0.49
NPC1 O15118 1/20 0.49
GFER P55789 1/20 0.48
DRD3 P35462 1/20 0.47

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
SCHEMBL5536198 0.89 NAMPT (0.64) SIGMAR1MEN1KMT2ANAMPTTMEM97
SCHEMBL20707157 0.87 NAMPT (0.67) SIGMAR1MEN1KMT2ANAMPTTMEM97
SCHEMBL5546309 0.87 NAMPT (0.67) SIGMAR1MEN1KMT2ANAMPTTMEM97
SCHEMBL5543873 0.87 NAMPT (0.67) SIGMAR1MEN1KMT2ANAMPTTMEM97
SCHEMBL5515823 0.87 NAMPT (0.67) SIGMAR1MEN1KMT2ANAMPTTMEM97
SCHEMBL6358663 0.86 MGLL (0.62) SIGMAR1MEN1KMT2ANAMPTTMEM97
SCHEMBL7644972 0.86 SIGMAR1 (0.59) SIGMAR1MEN1KMT2ANAMPTTMEM97
SCHEMBL17623676 0.84 SIGMAR1 (0.60) SIGMAR1MEN1KMT2ANAMPTTMEM97
SCHEMBL22265515 0.83 L3MBTL1 (0.68) SIGMAR1MEN1KMT2ANAMPTTMEM97
SCHEMBL28929238 0.83 L3MBTL1 (0.68) SIGMAR1MEN1KMT2ANAMPTTMEM97

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-0944618-B1 NOVEL N-BENZENESULPHONYL-L-PROLINE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USE FOURNIER IND & SANTE (FR) 2003-09-24 EP disclosed
US-6063791-A N-benzenesulfonyl-L-proline derivatives, method for preparing and therapeutic use FOURNIER INDUSTRIE ET SANTE (FR) 2000-05-16 US disclosed
EP-0944618-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 1999-09-29 EP disclosed
WO-1998024783-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 1998-06-11 WO disclosed