SCHEMBL12820403

SCHEMBL12820403

CC=Cc1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KCNH2 Q12809 1/20 0.39
NFE2L2 Q16236 4/20 0.38
F2RL1 P55085 2/20 0.37
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL13841260 1.00 TTR (0.42) TTRMAOAMAOBHTR2AHTR2C
SCHEMBL16957954 0.83 F2RL1 (0.40) NFE2L2F2RL1
SCHEMBL5422596 0.83 MAOA (0.37) TTRMAOAMAOBHTR2AHTR2C
SCHEMBL14604968 0.79 MAOA (0.42) TTRMAOAMAOBHTR2AHTR2C
SCHEMBL3437039 0.78 TDP1 (0.56) TTRMAOB
SCHEMBL257321 0.78 NFE2L2 (0.61) HTR2AHTR2CKCNH2NFE2L2F2RL1
SCHEMBL13891146 0.78 NFE2L2 (0.61) HTR2AHTR2CKCNH2NFE2L2F2RL1
SCHEMBL10322591 0.78 TDP1 (0.56) TTRMAOB
SCHEMBL7651798 0.78 NFE2L2 (0.61) HTR2AHTR2CKCNH2NFE2L2F2RL1
SCHEMBL23347609 0.77 GABRA1 (0.49) TTR

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
CN-111943900-B Isoxazoline derivatives and their use in agriculture 宁夏苏融达化工有限公司 2023-11-17 CN disclosed
CN-111943900-A Isoxazoline derivatives and their use in agriculture 东莞市东阳光农药研发有限公司 2020-11-17 CN disclosed
WO-2011038163-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed