SCHEMBL11045834

SCHEMBL11045834

Cc1cc(NC(=O)C2(C)CC2)ccc1OC(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.46
MEN1 O00255 12/20 0.46
MAPT P10636 12/20 0.46
LMNA P02545 7/20 0.46
HTT P42858 6/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 6/20 0.43
MAPK1 P28482 3/20 0.43
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
CCR6 P51684 1/20 0.41
HTR1E P28566 1/20 0.41
S1PR3 Q99500 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.39

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
SCHEMBL11435252 0.88 RORC (0.47) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL11049200 0.87 MEN1 (0.44) KMT2AMEN1MAPTLMNAHTT
SCHEMBL11050893 0.86 SMN1; SMN2 (0.42) KMT2AMEN1MAPTLMNAHTT
SCHEMBL11054922 0.86 MAPT (0.57) KMT2AMEN1MAPTLMNAHTT
SCHEMBL11050028 0.84 BRAF (0.46) KMT2AMEN1MAPTLMNAHTT
SCHEMBL11562238 0.84 KDM4E (0.39) KMT2AALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL11440778 0.84 HDAC1 (0.42) TSHRCNR1CNR2
SCHEMBL11567218 0.81 CNR1 (0.41) KMT2AMEN1MAPTLMNAHTT
SCHEMBL11440342 0.80 CNR1 (0.42) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL15886280 0.77 BACE1 (0.52) KMT2AMEN1SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0052473-A2 N-Substituted phenyl-1-methylcyclopropanecarboxamides, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-05-26 EP disclosed