SCHEMBL8174145

SCHEMBL8174145

COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)C(=O)OC2=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.62
KMT2A Q03164 8/20 0.62
MAPT P10636 4/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA7 P43166 1/20 0.60
KCNMA1 Q12791 1/20 0.58
POLB P06746 4/20 0.56
ALDH1A1 P00352 3/20 0.55
PKM P14618 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
LMNA P02545 2/20 0.55
MAPK1 P28482 2/20 0.55
CA2 P00918 1/20 0.53
HTT P42858 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL8187801 0.82 CA12 (0.65) MEN1KMT2AMAPTCA12CA1
SCHEMBL13561219 0.81 MEN1 (0.76) MEN1KMT2AMAPTKCNMA1POLB
SCHEMBL29961069 0.80 MAPT (0.69) MEN1KMT2AMAPTKCNMA1POLB
SCHEMBL9332891 0.79 MAPT (0.67) MEN1KMT2AMAPTKCNMA1POLB
SCHEMBL7304335 0.78 HTT (0.72) MEN1KMT2AMAPTKCNMA1POLB
SCHEMBL8174153 0.77 MEN1 (0.69) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL6477532 0.76 HTT (0.69) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL25306797 0.76 MAPK1 (0.68) MEN1KMT2AMAPTKCNMA1POLB
SCHEMBL2033537 0.76 MEN1 (0.74) MEN1KMT2AMAPTKCNMA1POLB
SCHEMBL4254980 0.76 TP53 (0.75) MEN1KMT2AMAPTPOLBALDH1A1

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
US-6075044-A Heterocyclic derivatives as inhibitors of purine salvage phosphoribosyltransferases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-06-13 US disclosed