SCHEMBL7952703

SCHEMBL7952703

CC[C@H](C)[C@H](N)C(=O)NCc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA14 Q9ULX7 1/20 0.43
CA12 O43570 1/20 0.42
TERT O14746 1/20 0.42
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2A6 P11509 1/20 0.40
ANPEP P15144 1/20 0.40
BACE1 P56817 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL3236429 1.00 EPHX2 (0.47) EPHX2LOXL2SLC1A3SLC1A2CA1
SCHEMBL4747242 0.83 MEN1 (0.56) CA1CA2CA7CA14TERT
SCHEMBL3668459 0.83 CA1 (0.47) CA1CA2CA7CA14TERT
SCHEMBL8172012 0.83 MEN1 (0.56) CA1CA2CA7CA14TERT
SCHEMBL7955857 0.82 HPGD (0.54) MEN1KMT2AANPEP
SCHEMBL4747248 0.82 CYP2C9 (0.53) EPHX2CA1CA2CA7CA14
SCHEMBL8164760 0.82 CYP2C9 (0.53) EPHX2CA1CA2CA7CA14
Hydrochloric Acid SCHEMBL8614402 0.82 MEN1 (0.55) CA1CA2CA7CA14TERT
Hydrochloric Acid SCHEMBL8614398 0.82 MEN1 (0.55) CA1CA2CA7CA14TERT
SCHEMBL3239995 0.82 HPGD (0.54) MEN1KMT2AANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010024772-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-04 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed