SCHEMBL8566616

SCHEMBL8566616

Nc1nc(C(=O)O)c(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DTYMK P23919 1/20 0.41
TSHR P16473 3/20 0.39
CASP6 P55212 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
GPR35 Q9HC97 1/20 0.38
CDK2 P24941 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL8566611 1.00 LMNA (0.42) LMNAALDH1A1ALOX15CYP3A4TDP1
SCHEMBL8832665 0.80 TSHR (0.46) TDP1DTYMKTSHRCASP6KDM4E
SCHEMBL8832668 0.80 TSHR (0.46) TDP1DTYMKTSHRCASP6KDM4E
SCHEMBL1317569 0.75 ALDH1A1 (0.41) LMNAALDH1A1ALOX15CYP3A4TDP1
SCHEMBL11980764 0.75 ALDH1A1 (0.43) LMNAALDH1A1ALOX15CYP3A4TDP1
SCHEMBL8568402 0.74 IDO1 (0.42) ALDH1A1ALOX15CYP3A4TDP1TSHR
SCHEMBL671248 0.74 KMT2A (0.36) LMNAALDH1A1ALOX15CYP3A4TDP1
SCHEMBL11697530 0.73 DTYMK (0.60) LMNAALDH1A1ALOX15CYP3A4TDP1
SCHEMBL772640 0.73 CASP6 (0.57) LMNAALDH1A1ALOX15CYP3A4TDP1
SCHEMBL597893 0.73 TDP1 (0.50) LMNAALDH1A1ALOX15CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663399-B1 Pyridine-2,3-dicarboxylic imides, process for their preparation and their use to control the growth of unwanted plants BASF AG (DE) 1998-06-10 EP claimed