SCHEMBL11050893

SCHEMBL11050893

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
MAPK1 P28482 3/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 12/20 0.41
MEN1 O00255 12/20 0.41
KMT2A Q03164 12/20 0.41
LMNA P02545 6/20 0.41
HTT P42858 5/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
HTR1E P28566 1/20 0.40
S1PR3 Q99500 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BACE1 P56817 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
SCHEMBL11564649 0.88 RORC (0.46) SMN1; SMN2RAB9ANPC1MAPK1TP53
SCHEMBL11045834 0.86 KMT2A (0.46) SMN1; SMN2RAB9ANPC1MAPK1TP53
SCHEMBL11049200 0.86 MEN1 (0.44) SMN1; SMN2RAB9ANPC1MAPK1TP53
SCHEMBL11054922 0.85 MAPT (0.57) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL11050028 0.82 BRAF (0.46) SMN1; SMN2RAB9ANPC1MAPK1TP53
SCHEMBL11565436 0.81 HDAC1 (0.39) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL11566980 0.80 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL8161671 0.76 CYP1A2 (0.55) SMN1; SMN2RAB9ANPC1MAPK1TP53
SCHEMBL11565621 0.75 KCNQ3 (0.47) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL11558200 0.74 CETP (0.41) SMN1; SMN2RAB9ANPC1MAPTMEN1

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