SCHEMBL7579726

SCHEMBL7579726

CC(C)NC(=O)c1c[c]cc([AsH2])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37
XDH P47989 3/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
FDPS P14324 1/20 0.35
ALOX5 P09917 1/20 0.35
HPGDS O60760 1/20 0.35
ALOX12 P18054 1/20 0.34
ERN1 O75460 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 1/20 0.34
TP53 P04637 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
SCHEMBL8593179 0.87 MLYCD (0.46) MLYCDNPSR1ALDH1A1LMNACYP1A2
SCHEMBL6247685 0.79 ALOX5 (0.45) MLYCDNPSR1ALDH1A1LMNACYP1A2
SCHEMBL6245293 0.79 HSD17B10 (0.53) MLYCDNPSR1LMNACYP2C19HPGD
SCHEMBL6197366 0.77 CA1 (0.44) ALDH1A1LMNAALOX15XDHMAPT
SCHEMBL6248854 0.73 NPC1 (0.48) CYP1A2CYP2C19HPGDMEN1KMT2A
SCHEMBL4443226 0.72 MLYCD (0.53) MLYCDNPSR1ALDH1A1LMNACYP1A2
SCHEMBL7168338 0.72 NPC1 (0.50) ALDH1A1LMNACYP1A2CYP2C19HPGD
SCHEMBL160225 0.70 NPSR1 (0.47) MLYCDNPSR1ALDH1A1LMNACYP1A2
SCHEMBL12614924 0.69 XDH (0.46) MLYCDNPSR1ALDH1A1LMNACYP1A2
SCHEMBL467358 0.68 MLYCD (0.55) MLYCDNPSR1ALDH1A1LMNACYP1A2

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
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
EP-1073633-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 2001-02-07 EP disclosed
WO-1999057098-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 1999-11-11 WO disclosed