SCHEMBL11819002

SCHEMBL11819002

O=[N+]([O-])c1cccc2c([N+](=O)[O-])nccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.64
POLB P06746 1/20 0.57
NCOA1 Q15788 1/20 0.57
NCOA3 Q9Y6Q9 1/20 0.57
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
PDE10A Q9Y233 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
MITF O75030 1/20 0.46
CTSB P07858 3/20 0.45
GAA P10253 2/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
NPC1 O15118 1/20 0.45
BRD4 O60885 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL27415734 0.84 TDP1 (0.67) TDP1POLBNCOA1NCOA3ALDH1A1
SCHEMBL9836130 0.81 TDP1 (0.62) TDP1POLBNCOA1NCOA3ALDH1A1
SCHEMBL27932601 0.81 TDP1 (0.62) TDP1POLBNCOA1NCOA3ALDH1A1
SCHEMBL2379102 0.81 TDP1 (0.62) TDP1POLBNCOA1NCOA3ALDH1A1
SCHEMBL6595618 0.81 TDP1 (0.62) TDP1POLBNCOA1NCOA3ALDH1A1
SCHEMBL10549357 0.81 TDP1 (0.62) TDP1POLBNCOA1NCOA3ALDH1A1
SCHEMBL619830 0.81 TDP1 (0.62) TDP1POLBNCOA1NCOA3ALDH1A1
SCHEMBL13459551 0.81 PLAU (0.44) TDP1POLBNCOA1NCOA3ALDH1A1
SCHEMBL29475175 0.80 TDP1 (1.00) TDP1POLBNCOA1NCOA3ALDH1A1
SCHEMBL57166 0.80 TDP1 (1.00) TDP1POLBNCOA1NCOA3ALDH1A1

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-3930837-A 3-CHLORO-5-ACETAMIDAISOQUINOLINE AS A HERBICIDE ICI AUSTRALIA LIMITED (AU) 1976-01-06 US disclosed