SCHEMBL11044970

SCHEMBL11044970

CCP(=O)(O)c1cc(Oc2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPK1 P28482 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ THRA P10827 3/20 0.38
▸ THRB P10828 3/20 0.38
▸ MAPT P10636 6/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35

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
SCHEMBL10854962 0.88 TDP1 (0.46) TDP1MAPK1TSHRTHRATHRB
SCHEMBL10854591 0.87 TDP1 (0.41) TDP1MAPK1TSHRMAPTSMN1; SMN2
SCHEMBL10857037 0.86 TDP1 (0.58) TDP1MAPK1TSHRMAPTSMN1; SMN2
SCHEMBL10855208 0.84 MAPK1 (0.48) TDP1MAPK1TSHRMAPTSMN1; SMN2
SCHEMBL10860196 0.83 PDE7A (0.54) TDP1MAPK1MAPTSMN1; SMN2POLB
SCHEMBL10858848 0.81 TDP1 (0.43) TDP1MAPK1TSHRMAPTSMN1; SMN2
SCHEMBL11288556 0.81 MAPT (0.34) TDP1MAPTSMN1; SMN2POLBLMNA
SCHEMBL11293220 0.81 LMNA (0.34) MAPK1MAPTSMN1; SMN2POLBLMNA
SCHEMBL10853848 0.80 TDP1 (0.46) TDP1TSHRMAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL10854582 0.80 MAPT (0.33) TDP1MAPTSMN1; SMN2POLBLMNA

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-4456465-A HERBICIDES ZOECON CORPORATION (US) 1984-06-26 — — US disclosed
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