SCHEMBL10697796

SCHEMBL10697796

NCc1ccccc1-c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 2/20 0.60
POLB P06746 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
DPP4 P27487 1/20 0.46
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
PGR P06401 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL9194437 0.80 DPP4 (0.58) TDP1MAPTMEN1POLBKMT2A
SCHEMBL28811341 0.79 DPP4 (0.42) TDP1ALDH1A1DPP4LMNANOS3
SCHEMBL29655079 0.79 TDP1 (0.64) TDP1MAPTMEN1POLBKMT2A
SCHEMBL29655203 0.79 TDP1 (0.64) TDP1MAPTMEN1POLBKMT2A
SCHEMBL27864754 0.79 TDP1 (0.64) TDP1MAPTMEN1POLBKMT2A
SCHEMBL10714748 0.79 TDP1 (0.64) TDP1MAPTMEN1POLBKMT2A
SCHEMBL719169 0.79 TDP1 (0.64) TDP1MAPTMEN1POLBKMT2A
SCHEMBL29655290 0.79 TDP1 (0.64) TDP1MAPTMEN1POLBKMT2A
SCHEMBL28258156 0.79 TDP1 (0.64) TDP1MAPTMEN1POLBKMT2A
SCHEMBL16816932 0.78 TDP1 (0.62) TDP1MAPTMEN1POLBKMT2A

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-0260744-A2 (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-03-23 EP disclosed