SCHEMBL2810810

SCHEMBL2810810

Cc1cc(Cn2cc(I)c(C(F)(F)C(F)(F)F)n2)ccc1NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.43
LMNA P02545 1/20 0.39
KLKB1 P03952 7/20 0.38
NR1H4 Q96RI1 1/20 0.38
KLK1 P06870 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
SCD O00767 1/20 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
SCHEMBL12467931 0.88 PTGDR2 (0.38) PTGDR2LMNAKLKB1KLK1TP53
SCHEMBL1833832 0.86 KLKB1 (0.35) PTGDR2LMNAKLKB1KLK1
SCHEMBL2161213 0.81 KLKB1 (0.36) PTGDR2KLKB1KLK1
SCHEMBL1836900 0.79 SKP2 (0.35) LMNAKLKB1KLK1MAPTALDH1A1
SCHEMBL1830791 0.79 KLKB1 (0.35) PTGDR2KLKB1KLK1
SCHEMBL2161215 0.78 KLKB1 (0.39) LMNAKLKB1KLK1
SCHEMBL1831113 0.77 LMNA (0.35) LMNAKLKB1KLK1MAPTCYP1A2
SCHEMBL12469860 0.75 KLKB1 (0.33) KLKB1KLK1
SCHEMBL1836652 0.74 KLKB1 (0.35) PTGDR2KLKB1KLK1
SCHEMBL2161844 0.71 MAPT (0.37) PTGDR2LMNAKLKB1KLK1TP53

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
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO disclosed