SCHEMBL11040951

SCHEMBL11040951

N#CC(Br)c1ccc(F)c(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.39
SLC6A4 P31645 9/20 0.39
KCNH2 Q12809 8/20 0.39
AR P10275 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TRPA1 O75762 1/20 0.36
SCN9A Q15858 2/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL11023886 0.88 TRPA1 (0.47) HTR2ASLC6A4CYP1A2CYP2C9CYP2C19
SCHEMBL9814747 0.84 SCN9A (0.39) HTR2ASLC6A4KCNH2ARMAPT
SCHEMBL9814890 0.84 SCN9A (0.39) HTR2ASLC6A4KCNH2ARMAPT
SCHEMBL10906720 0.77 SLC6A4 (0.36) HTR2ASLC6A4KCNH2ARKDM4E
SCHEMBL11110203 0.76 TRPA1 (0.46) ARMAPTMEN1ALDH1A1CYP2D6
SCHEMBL23120412 0.75 SLC6A4 (0.41) HTR2ASLC6A4KCNH2ARMAPT
SCHEMBL23120390 0.74 PPARG (0.41) HTR2ASLC6A4KCNH2ARMAPT
SCHEMBL10906698 0.73 ERBB2 (0.37) HTR2ASLC6A4MAPTMEN1CYP1A2
SCHEMBL7200091 0.73 DUT (0.37) HTR2ASLC6A4ALDH1A1CYP1A2CYP2C9
SCHEMBL10745511 0.73 DUT (0.37) HTR2ASLC6A4ALDH1A1CYP1A2CYP2C9

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-0044139-B1 NEW CYCLOPROPANECARBOXYLATES, THEIR PRODUCTION AND A LOW FISH TOXIC INSECTICIDE AND/OR ACARICIDE CONTAINING THEM AS AN ACTIVE INGREDIENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-09-26 EP disclosed
US-4376785-A Cyclopropanecarboxylates and a low fish toxic insecticide and/or acaricide containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-03-15 US disclosed
EP-0044139-A2 New cyclopropanecarboxylates, their production and a low fish toxic insecticide and/or acaricide containing them as an active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-20 EP disclosed