SCHEMBL8776629

SCHEMBL8776629

[O]c1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
MAPK1 P28482 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MYOC Q99972 1/20 0.59
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 3/20 0.52
MGLL Q99685 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
POLB P06746 2/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HSP90AA1 P07900 1/20 0.49

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
SCHEMBL3573967 0.94 MAPT (0.66) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL2082944 0.87 KMT2A (0.58) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL14601827 0.87 MAPT (0.57) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL95959 0.87 KMT2A (0.57) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL4963324 0.87 MAPT (0.57) MAPTKMT2AMEN1NPC1RAB9A
4-Nitrophenyl Phenylcarbamate SCHEMBL1434931 0.86 ALDH1A1 (0.62) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL6261538 0.86 MAPT (0.62) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL25490115 0.84 MEN1 (0.56) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL18779728 0.84 MAPT (0.55) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL31522080 0.84 MEN1 (0.67) MAPTKMT2AMEN1NPC1RAB9A

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-0799202-A1 PIPERAZINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME, THEIR USE AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1997-10-08 EP disclosed