SCHEMBL8429426

SCHEMBL8429426

CC(=O)c1ccc(Cl)c(C)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
NOTUM Q6P988 3/20 0.36
CLCN2 P51788 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ADRA2A P08913 1/20 0.36
SORT1 Q99523 1/20 0.35
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35
CTSB P07858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
P2RX7 Q99572 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
SCHEMBL9712390 0.84 HPGD (0.42) HPGDUSP2NOTUMCLCN2ADRA2A
SCHEMBL7573655 0.84 NOTUM (0.46) HPGDUSP2NOTUMCLCN2ADRA2A
SCHEMBL14873777 0.84 HPGD (0.42) HPGDUSP2NOTUMCLCN2MAOA
SCHEMBL31410035 0.83 HPGD (0.53) HPGDUSP2NOTUMCLCN2MAOA
SCHEMBL22093025 0.82 KMT2A (0.47) HPGDUSP2NOTUMCLCN2TDP1
SCHEMBL8492639 0.79 ABL1 (0.45) HPGDUSP2MYCMAPTALDH1A1
SCHEMBL23112646 0.79 HPGD (0.41) HPGDMAOAMAOBTDP1MAPT
SCHEMBL4621035 0.79 CES2 (0.45) MAOAMAOBTSHR
SCHEMBL6585808 0.79 MAPT (0.39) HPGDUSP2NOTUMCLCN2ADRA2A
SCHEMBL5488010 0.78 MAPT (0.43) HPGDMAOAMAOBMYCTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1063440-C Process for the desulfurization and the desalting of fossil fuels RHONE ROULENC AGROCHIMIE CORP (FR) 2001-03-21 CN disclosed
US-5945382-A AND A METHOD OF THEIR PREPARATION BY CHLORINATION OF AN INTERMEDIATE ARYLPYRAZOLE; PROTECTION AGAINST FUNGAL DISEASES IN TOMATO, RICE, AND WHEAT PLANTS RHONE-POULENC AGROCHIMIE (FR) 1999-08-31 US disclosed
EP-0638070-A1 FUNGICIDAL ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1995-02-15 EP disclosed
CN-1079735-A Arylpyrazole mycocide ENERGY BIOSYSTEMS CORP (FR) 1993-12-22 CN disclosed
WO-1993022287-A1 FUNGICIDAL ARYLPYRAZOLES RHONE POULENC AGROCHIMIE (FR) 1993-11-11 WO disclosed