SCHEMBL3846495

SCHEMBL3846495

CC(=O)[C@](C)(C(=O)O)N(C#N)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.34
MLYCD O95822 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL27276534 0.74 KMT2A (0.41) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL1654189 0.73 ATM (0.35) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL9507537 0.71 MEN1 (0.39) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL437417 0.67 NPSR1 (0.41) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL11871425 0.66 MLYCD (0.37) SMN1; SMN2ALDH1A1TSHRNPSR1MLYCD
SCHEMBL28249141 0.66 ALDH1A1 (0.40) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL27787154 0.65 ALDH1A1 (0.54) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL1796482 0.65 ALDH1A1 (0.41) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL12913142 0.64 PIN1 (0.45) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL200192 0.63 ALDH1A1 (0.49) MEN1KMT2ACYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799665-B1 METHOD FOR CLEANING 3-HYDROXYAMIDINOPHENYLALANINE DERIVATIVES BY THE PRECIPITATION AND RECRYSTALLISATION OF A SALT AND AN AROMATIC SULPHONIC ACID WILEX AG (DE) 2009-08-19 EP disclosed
EP-1799665-A1 METHOD FOR CLEANING 3-HYDROXYAMIDINOPHENYLALANINE DERIVATIVES BY THE PRECIPITATION AND RECRYSTALLISATION OF A SALT AND AN AROMATIC SULPHONIC ACID Wilex AG (DE) 2007-06-27 EP disclosed
WO-2006042678-A1 METHOD FOR CLEANING 3-HYDROXYAMIDINOPHENYLALANINE DERIVATIVES BY THE PRECIPITATION AND RECRYSTALLISATION OF A SALT AND AN AROMATIC SULPHONIC ACID WILEX AG (DE) 2006-04-27 WO disclosed