SCHEMBL7705143

SCHEMBL7705143

NC(=O)c1c[nH]cc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
ATM Q13315 2/20 0.43
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NOTUM Q6P988 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
METAP2 P50579 1/20 0.39
CAPN1 P07384 1/20 0.38
BCAT2 O15382 1/20 0.37
PDPK1 O15530 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
PARP1 P09874 2/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
Phosphoric Acid SCHEMBL7930393 0.89 ALDH1A1 (0.38) ALDH1A1ATMMAPTTSHRHSD17B10
SCHEMBL28912459 0.81
SCHEMBL826686 0.81
SCHEMBL24638465 0.75 CDC7 (0.36) ALDH1A1ATMMAPTTSHRHSD17B10
SCHEMBL9195922 0.75 ALDH1A1 (0.67) ALDH1A1ATMMAPTTSHRHSD17B10
SCHEMBL16322247 0.72 BCAT2 (0.57) ALDH1A1ATMMAPTTSHRHSD17B10
SCHEMBL1222250 0.72 ALDH1A1 (0.46) ALDH1A1ATMMAPTTSHRHSD17B10
SCHEMBL70047 0.69 NOTUM (0.65) ALDH1A1MAPTTSHRNOTUMKDM4E
SCHEMBL5205237 0.67 KDM4E (0.37) ALDH1A1MAPTTSHRHSD17B10KDM4E
SCHEMBL4967588 0.67 ALDH1A1 (0.70) ALDH1A1ATMMAPTTSHRHSD17B10

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
EP-1208109-A2 NUCLEOSIDE ANALOGUES NYCOMED AMERSHAM PLC (GB) 2002-05-29 EP disclosed
US-6239159-B1 SUBSTRATES FOR POLYMERASE AND TERMINAL TRANSFERASE ENZYMES. CAPABLE OF BASE-PAIRING WITH A NUCLEOTIDE RESIDUE IN A COMPLEMENTARY CHAIN OR BASE STACKING IN THE APPROPRIATE NUCLEIC ACID CHAIN, ADVANTAGE OVER CONVENTIONAL HAPTEN AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2001-05-29 US disclosed
WO-2001016150-A2 NUCLEOSIDE ANALOGUES AMERSHAM PLC (GB) 2001-03-08 WO disclosed
EP-0885235-A1 NUCLEOSIDE ANALOGUES Amersham Pharmacia Biotech UK Limited (GB) 1998-12-23 EP disclosed
WO-1997028176-A1 NUCLEOSIDE ANALOGUES AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 1997-08-07 WO disclosed