SCHEMBL8100291

SCHEMBL8100291

CSc1cc(C(F)(F)F)ccc1C=C(Br)Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
SLC6A9 P48067 1/20 0.33
PTGS1 P23219 2/20 0.33
BACE1 P56817 1/20 0.33
PPARA Q07869 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
PDE2A O00408 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DDR1 Q08345 1/20 0.32

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
SCHEMBL2799552 0.78 POLB (0.37) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL21823799 0.76 KDM4E (0.43) KDM4EPTGS1BACE1POLBMEN1
SCHEMBL4889898 0.75 ALDH1A1 (0.46) KDM4EALDH1A1BACE1RAB9AATM
SCHEMBL14390458 0.74 ALDH1A1 (0.33) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL28230730 0.73 ADRA2A (0.42) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL31365812 0.72 ADRA2A (0.40) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL6785112 0.72 MEN1 (0.44) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL8109502 0.72 ADRA2A (0.40) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL28095379 0.71 CES2 (0.49) KDM4EALDH1A1SLC6A9MEN1KMT2A
SCHEMBL5552843 0.71 LMNA (0.34) KDM4EALDH1A1ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP disclosed
US-5424276-A Herbicidal 4-acyl-5-pyridylisoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1995-06-13 US disclosed
US-5366957-A Plant growth regulators RHONE-POULENC ARGRICULTURE LTD (GB) 1994-11-22 US disclosed
EP-0524018-A1 Isoxazole herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-20 EP disclosed