SCHEMBL4592501

SCHEMBL4592501

CC(C)N1CCC(C(N)=O)CC1.O=C1c2ccccc2C(=O)N1CCS(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.48
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 2/20 0.44
NPC1 O15118 1/20 0.44
TDP2 O95551 1/20 0.44
HPGD P15428 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
GALK1 P51570 1/20 0.44
ATM Q13315 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL4592504 0.83 MAOB (0.49) MAOBALDH1A1KMT2AHPGDMAPT
Taurine SCHEMBL4593156 0.76 SMN1; SMN2 (0.42) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL496740 0.75 GLS (0.53) ALDH1A1KMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL222333 0.75 MAOB (0.52) MAOBALDH1A1ACHE
SCHEMBL219546 0.74 MAOB (0.51) MAOBHPGDACHE
Potassium SCHEMBL6284198 0.74 GLS (0.52) ALDH1A1KMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL6284185 0.74 GLS (0.52) ALDH1A1KMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL4592502 0.73 MAOB (0.50) MAOBALDH1A1PKMMAPTACHE
SCHEMBL2782845 0.71 SMN1; SMN2 (0.53) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL221260 0.69 MAOB (0.46) MAOBACHE

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
EP-1888567-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis (FR) 2008-02-20 EP disclosed
WO-2006122661-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS (DE) 2006-11-23 WO disclosed