SCHEMBL14977883

SCHEMBL14977883

C/C(Cl)=C1\C2CCC1c1c2cccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
GPR35 Q9HC97 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
TSHR P16473 3/20 0.35
ERN1 O75460 1/20 0.35
ACHE P22303 2/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
NR4A1 P22736 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9269601 1.00 TDP1 (0.38) TDP1GPR35SMN1; SMN2CHRNB2CHRNA4
SCHEMBL6982116 0.89 TDP1 (0.40) TDP1GPR35SMN1; SMN2CHRNB2CHRNA4
SCHEMBL4572403 0.89 GPR35 (0.40) TDP1GPR35SMN1; SMN2CHRNB2CHRNA4
SCHEMBL4572413 0.84 GPR35 (0.41) TDP1GPR35SMN1; SMN2CHRNB2CHRNA4
SCHEMBL12446428 0.84 GPR35 (0.44) TDP1GPR35SMN1; SMN2CHRNB2CHRNA4
SCHEMBL6979277 0.83 GPR35 (0.40) TDP1GPR35SMN1; SMN2CHRNB2CHRNA4
SCHEMBL4572414 0.83 GPR35 (0.40) TDP1GPR35SMN1; SMN2CHRNB2CHRNA4
SCHEMBL4572411 0.82 TDP1 (0.37) TDP1GPR35SMN1; SMN2CHRNB2CHRNA4
SCHEMBL12677202 0.81 GPR35 (0.38) TDP1GPR35SMN1; SMN2CHRNB2CHRNA4
SCHEMBL4572402 0.76 TDP1 (0.41) TDP1GPR35SMN1; SMN2CHRNB2CHRNA4

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-8450499-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-05-28 US disclosed