SCHEMBL289758

SCHEMBL289758

O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc1Br)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.53
ABCC8 Q09428 1/20 0.53
KCNJ11 Q14654 1/20 0.53
KCNJ8 Q15842 1/20 0.53
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
BLM P54132 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
RXFP1 Q9HBX9 1/20 0.47
THRA P10827 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 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
SCHEMBL1767250 0.87 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL1766491 0.87 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL1820368 0.87 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL4180513 0.85 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL4182929 0.84 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL697193 0.83 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL697765 0.82 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL698112 0.82 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL1842685 0.82 ALDH1A1 (0.57) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL3133568 0.81 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8KMT2A

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
EP-2427427-A1 4 -CYANO- 3 -BENZOYLAMINO-N- PHENYL-BENZAMIDES FOR USE IN PEST CONTROL Syngenta Participations AG (CH) 2012-03-14 EP disclosed