SCHEMBL7121270

SCHEMBL7121270

O=C(O)Cc1nc(CC(=O)O)n(CC(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.37
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 1/20 0.33
KMO O15229 1/20 0.32
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
CMA1 P23946 1/20 0.31

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
SCHEMBL13872406 0.67 KDM4C (0.55) LMNAALDH1A1GAAMAPTTSHR
SCHEMBL13807585 0.66 LMNA (0.42) LMNACYP1A2ALDH1A1GAAHSD17B10
SCHEMBL7122558 0.66 CYP1A2 (0.67) LMNACYP1A2ALDH1A1GAAHSD17B10
SCHEMBL16415983 0.64 LMNA (0.49) LMNAALDH1A1GAAALOX15MAPT
SCHEMBL16416319 0.64 ALDH1A1 (0.46) LMNAALDH1A1GAAALOX15MAPT
SCHEMBL13799636 0.63 CYP1A2 (0.41) LMNACYP1A2ALDH1A1
SCHEMBL11195487 0.61 CYP1A2 (0.48) LMNACYP1A2GAAHSD17B10
SCHEMBL28648788 0.61 CYP1A2 (0.39) LMNACYP1A2ALDH1A1
SCHEMBL15156954 0.61 LMNA (0.45) LMNAALDH1A1GAAALOX15TSHR
SCHEMBL3687891 0.60 KMT2A (0.62) LMNAALDH1A1GAAALOX15HSD17B10

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-0945496-B1 Ink compositions and multicolor thermal ink jet printing process for the production of high quality images XEROX CORP (US) 2003-11-12 EP claimed