SCHEMBL10694828

SCHEMBL10694828

N#CC(CF)(CF)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
ACHE P22303 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD11B1 P28845 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
MMP14 P50281 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.37
VCAM1 P19320 1/20 0.37
PYCR1 P32322 1/20 0.36

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
SCHEMBL2817150 0.86 ALDH1A1 (0.49) CA1CA2CA5ACA9LOXL2
SCHEMBL10691685 0.83 TSHR (0.44) CA1CA2CA5ACA9LOXL2
SCHEMBL28680251 0.78 CYP1A2 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL8666047 0.75 ALDH1A1 (0.46) ALDH1A1POLBMAPK1HSD11B1MAPT
SCHEMBL8749758 0.75 ALDH1A1 (0.46) ALDH1A1POLBMAPK1HSD11B1MAPT
SCHEMBL28455171 0.74 HSD17B10 (0.48) CA1CA2CA5ACA9ALDH1A1
SCHEMBL9118558 0.73 ALDH1A1 (0.44) ALDH1A1POLBMAPK1HSD11B1MAPT
SCHEMBL395484 0.73 HSD17B10 (0.47) CA1CA2CA5ACA9ALDH1A1
SCHEMBL8844983 0.72 ALDH1A1 (0.52) ALDH1A1POLBMAPK1MAPTMEN1
SCHEMBL2815187 0.72 HSD17B10 (0.42) CA1CA2CA5ACA9LOXL2

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-0261073-A2 Insecticidal and acaricidal alkane and alkoxy alkane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1988-03-23 EP disclosed
CN-87105707-A Desinsection and the alkane and the alkoxy derivatives alkane that kill mite 1988-03-09 CN disclosed