SCHEMBL10692824

SCHEMBL10692824

N#CC(CF)(CF)c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
CCR1 P32246 3/20 0.35
MIF P14174 1/20 0.34
LMNA P02545 1/20 0.33
CYP2A6 P11509 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KIF11 P52732 1/20 0.31
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8445728 0.83 CCR1 (0.43) CYP19A1MEN1KMT2ATSHRMAPK1
SCHEMBL16142423 0.81 CCR1 (0.45) CYP19A1MEN1KMT2ATSHRMAPK1
SCHEMBL10689490 0.79 KIF11 (0.39) MEN1KMT2ATSHRMAPK1MAOB
SCHEMBL11846090 0.76 CASP1 (0.53) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL10691514 0.76 ESR1 (0.43) CYP19A1MEN1KMT2ATSHRMAPK1
SCHEMBL10466354 0.74 CCR1 (0.36) CYP19A1MEN1KMT2ACCR1LMNA
SCHEMBL11649345 0.73 KIF11 (0.53) TSHRCCR1KIF11CASP1HSD17B10
SCHEMBL10694828 0.72 CA1 (0.44) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL18603148 0.71 CYP19A1 (0.41) CYP19A1MEN1KMT2ATSHRMAPK1
SCHEMBL28762289 0.71 CYP19A1 (0.41) CYP19A1MEN1KMT2ATSHRMAPK1

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