SCHEMBL7100255

SCHEMBL7100255

Cc1ccc(F)c(Oc2ccccc2)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.38
TSHR P16473 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
ACHE P22303 1/20 0.34
DHODH Q02127 1/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
GPR55 Q9Y2T6 2/20 0.33

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
SCHEMBL14920449 0.81 CA12 (0.42) LTA4HTSHRHTR1ASLC6A2SLC6A4
SCHEMBL28954091 0.79 CA2 (0.35) CA1CA2KDM4EACHESMN1; SMN2
SCHEMBL11351363 0.79 CA12 (0.40) LTA4HTSHRHTR1ASLC6A2SLC6A4
SCHEMBL22199170 0.78 CA1 (0.42) LTA4HTSHRHTR1ASLC6A2SLC6A4
SCHEMBL9102119 0.76 LTA4H (0.35) LTA4HTSHRMAPTKMT2AKDM4E
SCHEMBL11235395 0.76 ACHE (0.48) LTA4HTSHRHTR1ASLC6A2SLC6A4
SCHEMBL28668399 0.75 KDM1A (0.48) HTR1ASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL10688915 0.72 HTR1A (0.47) LTA4HTSHRHTR1ASLC6A2SLC6A4
SCHEMBL16122061 0.71 CYP1A2 (0.47) LTA4HTSHRHTR1ASLC6A2SLC6A4
SCHEMBL16890420 0.71 LTA4H (0.58) LTA4HTSHRCA12CA1CA2

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-1278720-A1 1,4-DIARYL-2-FLUORO-4-CYANO-2-BUTENES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES USEFUL THEREFOR BASF AKTIENGESELLSCHAFT (DE) 2003-01-29 EP disclosed
WO-2001083428-A1 1,4-DIARYL-2-FLUORO-4-CYANO-2-BUTENES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES USEFUL THEREFOR BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 WO disclosed