SCHEMBL7632075

SCHEMBL7632075

COc1cc([N+](=O)[O-])ccc1-c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
KCNMA1 Q12791 1/20 0.54
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
NPC1 O15118 3/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
DRD4 P21917 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 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
SCHEMBL16712991 0.85 HTT (0.55) HTTKCNMA1TDP1PKMKMT2A
SCHEMBL11697350 0.85 HTT (0.55) HTTTDP1PKMKMT2AAKR1C3
SCHEMBL3185913 0.84 HTT (0.58) HTTKCNMA1TDP1PKMAKR1C3
SCHEMBL10935041 0.82 HTT (0.53) HTTKCNMA1TDP1PKMKMT2A
SCHEMBL31061810 0.82 CYP19A1 (0.62) HTTTDP1PKMKMT2AMEN1
SCHEMBL4436933 0.82 CYP19A1 (0.62) HTTTDP1PKMKMT2AMEN1
SCHEMBL2050383 0.81 TTR (0.56) HTTTDP1PKMKMT2AMEN1
SCHEMBL2050386 0.81 TTR (0.56) HTTTDP1PKMKMT2AMEN1
SCHEMBL2039162 0.80 POLB (0.58) HTTKCNMA1PKMKMT2AMEN1
SCHEMBL10169410 0.80 APP (0.55) HTTTDP1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900022-A4 AN IMPROVED METHOD FOR CONTROLLING TERMITES FMC CORP (US) 2002-04-18 EP disclosed
US-5973008-A Method for controlling termites FMC CORPORATION 1999-10-26 US disclosed
CN-1216899-A Improved method for controlling termites FMC CORP (US) 1999-05-19 CN disclosed
EP-0900022-A1 AN IMPROVED METHOD FOR CONTROLLING TERMITES FMC CORPORATION (US) 1999-03-10 EP disclosed
WO-1997040689-A1 AN IMPROVED METHOD FOR CONTROLLING TERMITES FMC CORPORATION (US) 1997-11-06 WO disclosed