SCHEMBL8530875

SCHEMBL8530875

CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 2/20 0.56
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
ALDH1A1 P00352 4/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.42
SCN9A Q15858 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9031190 0.85 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL5595068 0.84 AKR1C4 (0.53) KDM4EHSD17B10AKR1C4AKR1C3AKR1C2
SCHEMBL3576620 0.83 KDM4E (0.53) KDM4EHSD17B10AKR1C4AKR1C3AKR1C2
SCHEMBL28794509 0.81 AKR1C4 (0.55) KDM4EHSD17B10AKR1C4AKR1C3AKR1C2
SCHEMBL28105089 0.81 ALDH1A1 (0.52) KDM4EHSD17B10ALDH1A1TP53SMN1; SMN2
SCHEMBL17799568 0.79 KDM4E (0.49) KDM4EHSD17B10AKR1C4AKR1C3AKR1C2
SCHEMBL28091444 0.78 AKR1C4 (0.47) KDM4EHSD17B10AKR1C4AKR1C3AKR1C2
SCHEMBL5950237 0.78 DHODH (0.57) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL10892245 0.78 RAPGEF4 (0.52) HSD17B10ALDH1A1SMN1; SMN2TSHRMEN1
Hydrochloric Acid SCHEMBL17799576 0.78 KDM4E (0.48) KDM4EHSD17B10AKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105906502-A Preparation method of 3,5-dichlorobenzoyl chloride 山东润博生物科技有限公司 2016-08-31 CN claimed
CN-105906502-A Preparation method of 3,5-dichlorobenzoyl chloride 山东润博生物科技有限公司 2016-08-31 CN disclosed
CN-105906502-A Preparation method of 3,5-dichlorobenzoyl chloride 山东润博生物科技有限公司 2016-08-31 CN disclosed
CN-105837432-A Novel preparation method of 3,5-dichlorobenzoyl chloride 山东润博生物科技有限公司 2016-08-10 CN disclosed
US-5783577-A COMBINATORIAL LIBRARY FOR DRUG SCREENING TREGA BIOSCIENCES, INC. (US) 1998-07-21 US disclosed
WO-1998011438-A1 SYNTHESIS OF QUINAZOLINONE LIBRARIES AND DERIVATIVES THEREOF TREGA BIOSCIENCES, INC. (US) 1998-03-19 WO disclosed
WO-1997010221-A1 SYNTHESIS OF QUINAZOLINONE LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-03-20 WO disclosed