SCHEMBL11023968

SCHEMBL11023968

CC(CNc1cc(Oc2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 5/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALPG P10696 1/20 0.39
PKM P14618 1/20 0.39
THRA P10827 3/20 0.39
THRB P10828 3/20 0.39
PTGDR Q13258 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
SERPINE1 P05121 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10994566 0.84 ALDH1A1 (0.46) TDP1MAPTLMNAPOLBMEN1
SCHEMBL314657 0.82 SMN1; SMN2 (0.54) TDP1MAPTLMNAPOLBMEN1
SCHEMBL314659 0.82 SMN1; SMN2 (0.54) TDP1MAPTLMNAPOLBMEN1
SCHEMBL314658 0.82 SMN1; SMN2 (0.54) TDP1MAPTLMNAPOLBMEN1
SCHEMBL11023973 0.81 TDP1 (0.43) TDP1MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL10454656 0.80 MEN1 (0.62) TDP1MAPTLMNAPOLBMEN1
SCHEMBL10454659 0.80 MEN1 (0.62) TDP1MAPTLMNAPOLBMEN1
SCHEMBL10998428 0.79 LMNA (0.52) TDP1MAPTLMNAPOLBMEN1
SCHEMBL10998399 0.79 TDP1 (0.44) TDP1MAPTLMNAPOLBMEN1
SCHEMBL10992241 0.79 TDP1 (0.47) TDP1MAPTLMNAPOLBMEN1

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-0080746-B1 NEW DIPHENYL ETHERS HAVING HERBICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1985-08-21 EP disclosed