SCHEMBL4599697

SCHEMBL4599697

NC(N)(N)C(=O)O.c1cc2cc-2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.50
PTPN1 P18031 2/20 0.47
DHODH Q02127 3/20 0.46
CYP2C9 P11712 2/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
ACMSD Q8TDX5 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
PTPN5 P54829 1/20 0.42
ESR1 P03372 1/20 0.42
CYP1A2 P05177 3/20 0.42
MGLL Q99685 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
IKBKB O14920 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL27371366 0.88 KMO (0.48) KMOPTPN1DHODHCYP2C9ACMSD
Bicarbonate SCHEMBL11165825 0.81 KMO (0.61) KMOPTPN1DHODHCYP2C9RXRA
Urea SCHEMBL12500731 0.78 KMO (0.52) KMOPTPN1DHODHCYP2C9ACMSD
Oxalic Acid SCHEMBL27820733 0.78 KMO (0.58) KMOPTPN1DHODHCYP2C9RXRA
Acetic Acid SCHEMBL734741 0.76 KMO (0.56) KMOPTPN1DHODHRXRARXRB
Bicarbonate SCHEMBL9702180 0.76 KMO (0.70) KMODHODHACMSDMEN1KMT2A
SCHEMBL27960898 0.76 KMO (0.56) KMOPTPN1DHODHCYP2C9RXRA
Benzene SCHEMBL28772928 0.76 KMO (0.56) KMOPTPN1DHODHRXRARXRB
SCHEMBL27493420 0.76 KMO (0.56) KMOPTPN1DHODHCYP2C9RXRA
Glycine SCHEMBL17260991 0.75 AOC3 (0.50) KMOPTPN1DHODHACMSDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 WO disclosed