SCHEMBL8040399

SCHEMBL8040399

CN(CCCNC(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.57
▸ TMEM97 Q5BJF2 2/20 0.51
▸ EPHX2 P34913 2/20 0.47
▸ GFER P55789 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.43
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ DPP4 P27487 1/20 0.41
▸ NPC1 O15118 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
SCHEMBL3034762 0.84 HPGD (0.43) SIGMAR1TMEM97RAB9AHPGDHDAC3
SCHEMBL14679116 0.82 L3MBTL1 (0.53) SIGMAR1TMEM97RAB9AHPGDMEN1
SCHEMBL7719747 0.82 EPHX2 (0.52) SIGMAR1TMEM97EPHX2PPARARAB9A
SCHEMBL15382631 0.81 SIGMAR1 (0.69) SIGMAR1TMEM97EPHX2GFERRAB9A
SCHEMBL28223322 0.81 MGLL (0.53) SIGMAR1TMEM97EPHX2RAB9ANAMPT
SCHEMBL21998217 0.79 PPARA (0.41) EPHX2PPARARAB9ACCNCCDK8
SCHEMBL23099545 0.78 FPR3 (0.41) SIGMAR1TMEM97RAB9AHPGDMEN1
SCHEMBL31245830 0.78 CA14 (0.41) SIGMAR1TMEM97HPGDMEN1KMT2A
SCHEMBL14679115 0.78 NPC1 (0.51) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL31059259 0.77 ALDH1A1 (0.43) SIGMAR1TMEM97EPHX2PPARAHPGD

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-6063791-A N-benzenesulfonyl-L-proline derivatives, method for preparing and therapeutic use FOURNIER INDUSTRIE ET SANTE (FR) 2000-05-16 — — US disclosed
Send feedback