SCHEMBL11081089

SCHEMBL11081089

O=C(Cl)CC(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CYP1A2 P05177 2/20 0.37
TSHR P16473 1/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
FBP1 P09467 1/20 0.37
CPA1 P15085 6/20 0.37
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
SRC P12931 1/20 0.36
NPC1 O15118 1/20 0.36
ADAM17 P78536 1/20 0.36

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
SCHEMBL2555564 0.85 GABBR2 (0.47) GSRKMT2AMEN1CYP1A2TSHR
SCHEMBL27836708 0.84 GABBR2 (0.46) GSRKMT2AMEN1CYP1A2TSHR
SCHEMBL1305450 0.82 CYP2C19 (0.46) GSRCYP1A2GABBR2GABBR1CPA1
SCHEMBL28123480 0.82 KMT2A (0.51) GSRKMT2AMEN1CYP1A2CYP2D6
SCHEMBL27604686 0.81 GSR (0.41) GSRKMT2AMEN1CYP1A2TSHR
SCHEMBL1304856 0.78 ATM (0.51) KMT2AMEN1CYP1A2CYP2D6CYP3A4
SCHEMBL5682429 0.78 ALDH1A1 (0.43) GSRKMT2AMEN1CYP1A2FBP1
SCHEMBL366294 0.78 FAAH (0.43) GSRKMT2AMEN1CYP1A2CYP2D6
SCHEMBL3336779 0.77 GSR (0.55) GSRKMT2AMEN1CPA1CYP2D6
SCHEMBL27340252 0.77 GSR (0.42) GSRKMT2AMEN1TSHRFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4442296-A LARVICIDES FMC CORPORATION (US) 1984-04-10 US disclosed
US-4408057-A 4-Heterocyclic-substituted-2-indanyl alcohols and insecticidal ester derivatives FMC CORPORATION (US) 1983-10-04 US disclosed
US-4368205-A 4-Heterocyclic-substituted-2-indanyl alcohols and insecticidal ester derivatives FMC CORPORATION (US) 1983-01-11 US disclosed