SCHEMBL6009112

SCHEMBL6009112

NC(C(=O)O)C(N)C(=O)OCc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
SLC1A3 P43003 3/20 0.45
SLC1A2 P43004 3/20 0.45
SLC1A1 P43005 3/20 0.45
MEN1 O00255 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
IDO1 P14902 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MMP1 P03956 1/20 0.42
FFAR1 O14842 1/20 0.42

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
SCHEMBL8861375 1.00 KMT2A (0.46) KMT2AKDM4ESLC1A3SLC1A2SLC1A1
SCHEMBL7653627 0.84 SLC1A1 (0.62) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL8861386 0.84 SLC1A1 (0.62) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL383650 0.84 SLC1A1 (0.62) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL28589056 0.83 KDM4E (0.47) KMT2AKDM4EMEN1IDO1RXRA
SCHEMBL6006751 0.83 NPC1 (0.45) KMT2AKDM4ESLC1A3SLC1A2SLC1A1
SCHEMBL8861390 0.83 CYP2C9 (0.47) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL28589062 0.83 KDM4E (0.47) KMT2AKDM4EMEN1IDO1RXRA
SCHEMBL6006754 0.83 NPC1 (0.45) KMT2AKDM4ESLC1A3SLC1A2SLC1A1
SCHEMBL9093870 0.83 SLC1A1 (0.45) KMT2ASLC1A3SLC1A2SLC1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920345-A4 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS VYTERIS INC (US) 2006-05-10 EP disclosed
EP-0920345-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS Becton Dickinson and Company (US) 1999-06-09 EP disclosed
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed
WO-1997048443-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO disclosed