SCHEMBL1814042

SCHEMBL1814042

Cc1cc([C](c2ccccc2)C(F)(F)F)cc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
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 0.53
MEN1 O00255 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 4/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 2/20 0.49
BLM P54132 1/20 0.49
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48

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
SCHEMBL3604638 0.85 ALDH1A1 (0.55) ALDH1A1L3MBTL1ABCC9ABCC8KCNJ11
SCHEMBL1842685 0.83 ALDH1A1 (0.57) ALDH1A1L3MBTL1ABCC9ABCC8KCNJ11
SCHEMBL1810895 0.83 ABCC9 (0.57) ALDH1A1L3MBTL1ABCC9ABCC8KCNJ11
SCHEMBL1825660 0.82 ABCC9 (0.58) ALDH1A1L3MBTL1ABCC9ABCC8KCNJ11
SCHEMBL1823158 0.82 ABCC9 (0.64) ALDH1A1L3MBTL1ABCC9ABCC8KCNJ11
SCHEMBL3936949 0.81 ALDH1A1 (0.53) ALDH1A1L3MBTL1ABCC9ABCC8KCNJ11
SCHEMBL1812513 0.80 ALDH1A1 (0.54) ALDH1A1L3MBTL1ABCC9ABCC8KCNJ11
SCHEMBL1813478 0.79 ALDH1A1 (0.53) ALDH1A1L3MBTL1ABCC9ABCC8KCNJ11
SCHEMBL2259561 0.77 ALDH1A1 (0.49) ALDH1A1L3MBTL1ABCC9ABCC8KCNJ11
SCHEMBL1812039 0.77 ALDH1A1 (0.51) ALDH1A1L3MBTL1ABCC9ABCC8KCNJ11

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
EP-2318358-A2 ACYLAMINOBENZAMIDE DERIVATIVES Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 WO disclosed