SCHEMBL11157129

SCHEMBL11157129

CCCOc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
S1PR4 O95977 5/20 0.55
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
PDE7A Q13946 2/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PNLIP P16233 1/20 0.45
MEN1 O00255 1/20 0.43
TTR P02766 1/20 0.43
PPOX P50336 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL10881418 0.90 TDP1 (0.61) TDP1S1PR4MAPTLMNANPC1
SCHEMBL10893024 0.90 TDP1 (0.55) TDP1S1PR4MAPTLMNANPC1
SCHEMBL11149455 0.89 TDP1 (0.60) TDP1S1PR4MAPTLMNANPC1
SCHEMBL11878540 0.89 TDP1 (0.57) TDP1S1PR4MAPTLMNANPC1
SCHEMBL10344542 0.89 TDP1 (0.54) TDP1S1PR4MAPTLMNANPC1
SCHEMBL11882008 0.88 TDP1 (0.58) TDP1S1PR4MAPTLMNANPC1
SCHEMBL11742834 0.86 TDP1 (0.57) TDP1S1PR4MAPTLMNANPC1
SCHEMBL10847574 0.85 TDP1 (0.65) TDP1S1PR4MAPTLMNAHPGD
SCHEMBL11349085 0.84 TDP1 (0.56) TDP1S1PR4MAPTLMNAHPGD
Chlomethoxyfen SCHEMBL8538106 0.84 TDP1 (0.68) TDP1S1PR4MAPTLMNANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4401461-A PRE- AND POSTEMERGENCE HERBICIDES; RICE ROHM AND HAAS COMPANY (US) 1983-08-30 US disclosed
US-4039588-A ALKOXY, AMINO, HALO-, OR CYANO-SUBSTITUTED ROHM AND HAAS COMPANY (US) 1977-08-02 US disclosed