SCHEMBL3393979

SCHEMBL3393979

Cc1cc(-c2ccc([N+](=O)[O-])cc2)nn1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
RAD51 Q06609 1/20 0.49
MAPT P10636 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.45
PHGDH O43175 1/20 0.44
POLB P06746 1/20 0.44
CCR6 P51684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43

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
SCHEMBL13426524 0.82 MAPT (0.47) PDE4BPDE4DRAD51MAPTMEN1
SCHEMBL3396698 0.81 GABRA1 (0.44) RAD51MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL3399530 0.79 PTGS2 (0.49) PDE4BMAPTMEN1KMT2ARAB9A
SCHEMBL3400232 0.75 PHGDH (0.43) MAPTMEN1KMT2AALDH1A1PHGDH
SCHEMBL3395570 0.72 MAPT (0.47) MAPT
SCHEMBL10665356 0.72 SMN1; SMN2 (0.53) PDE4BMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8471355 0.72 PHGDH (0.49) RAD51MAPTMEN1KMT2ARAB9A
SCHEMBL18127956 0.72 SCN4A (0.65) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL11157691 0.71 MCL1 (0.60) RAD51MAPTMEN1KMT2ARAB9A
SCHEMBL874933 0.71 PHGDH (0.52) RAD51MAPTMEN1KMT2ARAB9A

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed