SCHEMBL12439877

SCHEMBL12439877

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C(F)(F)F)c1NC(=O)c1cccc([N+](=O)[O-])c1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.47
KCNMA1 Q12791 2/20 0.47
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
CYP2C9 P11712 1/20 0.43
DHODH Q02127 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1844350 0.92 KCNMA1 (0.51) P2RX1KCNMA1KMT2AMEN1CYP2C9
SCHEMBL12440042 0.90 DHODH (0.47) P2RX1KCNMA1KMT2AMEN1CYP2C9
SCHEMBL29615050 0.89 P2RX1 (0.46) P2RX1KCNMA1KMT2AMEN1CYP2C9
SCHEMBL29695914 0.89 P2RX1 (0.46) P2RX1KCNMA1KMT2AMEN1CYP2C9
SCHEMBL1766786 0.89 P2RX1 (0.46) P2RX1KCNMA1KMT2AMEN1CYP2C9
SCHEMBL1766569 0.89 P2RX1 (0.46) P2RX1KCNMA1KMT2AMEN1CYP2C9
SCHEMBL29549704 0.89 P2RX1 (0.46) P2RX1KCNMA1KMT2AMEN1CYP2C9
SCHEMBL31175825 0.88 KMT2A (0.47) P2RX1KCNMA1KMT2AMEN1CYP2C9
SCHEMBL14850235 0.87 P2RX1 (0.46) P2RX1KCNMA1KMT2AMEN1CYP2C9
SCHEMBL13508274 0.85 KCNMA1 (0.44) P2RX1KCNMA1KMT2AMEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011093415-A1 COMPOSITION FOR CONTROL OF ANIMAL PARASITES, AND METHOD FOR CONTROL OF ANIMAL PARASITES 三井化学アグロ株式会社 (JP) 2011-08-04 WO disclosed
WO-2010018714-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND USE OF THE PEST CONTROL AGENT 三井化学アグロ株式会社 (JP) 2010-02-18 WO disclosed