SCHEMBL11049200

SCHEMBL11049200

CC1(C(=O)Nc2ccc(OC(F)F)c(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
MAPT P10636 7/20 0.44
ALDH1A1 P00352 3/20 0.44
KDR P35968 2/20 0.44
BACE1 P56817 2/20 0.44
BRAF P15056 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 3/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42
LMNA P02545 6/20 0.41
HTT P42858 4/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL11565621 0.90 KCNQ3 (0.47) ALDH1A1KDRBACE1BRAFSMN1; SMN2
SCHEMBL11045834 0.87 KMT2A (0.46) MEN1KMT2AMAPTALDH1A1BACE1
SCHEMBL11054922 0.86 MAPT (0.57) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL11050893 0.86 SMN1; SMN2 (0.42) MEN1KMT2AMAPTALDH1A1BACE1
SCHEMBL11563744 0.85 FFAR1 (0.43) KDRBACE1BRAFEPHX2FFAR1
SCHEMBL11050028 0.84 BRAF (0.46) MEN1KMT2AMAPTALDH1A1KDR
SCHEMBL11121095 0.84 MAPT (0.40) MEN1KMT2AMAPTALDH1A1KDR
SCHEMBL11565935 0.82 MET (0.48) KMT2AALDH1A1KDRBACE1BRAF
SCHEMBL11565021 0.81 MET (0.49) KDRBACE1BRAFSMN1; SMN2FFAR1
SCHEMBL9526483 0.80 RORC (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58057352-A None JP disclosed
EP-0052473-B1 N-SUBSTITUTED PHENYL-1-METHYLCYCLOPROPANECARBOXAMIDES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-22 EP disclosed
US-4447260-A N-Substituted phenyl-1-methylcyclopropanecarboxamides, and their herbicidal use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-08 US disclosed
JP-S5857352-A CYCLOPROPANECARBOXAMIDE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING THE SAME AS ACTIVE CONSTITUENT SUMITOMO CHEM CO LTD 1983-04-05 JP disclosed
EP-0052473-A2 N-Substituted phenyl-1-methylcyclopropanecarboxamides, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-05-26 EP disclosed