SCHEMBL7160271

SCHEMBL7160271

COc1ccc(/C=C/c2nc(C(Cl)(Cl)C(=O)Cl)nc(C(Cl)(Cl)C(=O)Cl)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
F3 P13726 2/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL7160275 1.00 ADORA3 (0.48) ADORA3F3MAPTMEN1KMT2A
SCHEMBL21940412 0.83 CYP1A2 (0.50) ADORA3MAPTMEN1KMT2AKDM4E
SCHEMBL51497 0.83 CYP1A2 (0.50) ADORA3MAPTMEN1KMT2AKDM4E
SCHEMBL51498 0.83 CYP1A2 (0.50) ADORA3MAPTMEN1KMT2AKDM4E
Hydrogen Sulfide SCHEMBL30503988 0.81 CYP1A2 (0.49) ADORA3MAPTMEN1KMT2AKDM4E
SCHEMBL1048205 0.78 CYP1A2 (0.51) ADORA3MAPTMEN1KMT2AKDM4E
SCHEMBL1048204 0.78 CYP1A2 (0.51) ADORA3MAPTMEN1KMT2AKDM4E
SCHEMBL7160279 0.77 ADORA3 (0.49) ADORA3F3MAPTMEN1KMT2A
SCHEMBL24897242 0.75 CYP1A2 (0.64) MAPTKDM4ECYP1A2CYP2D6NPC1
SCHEMBL153282 0.75 MAPT (0.55) ADORA3MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143299-B1 Chemically amplified positive resist composition SUMITOMO CHEMICAL CO (JP) 2003-07-16 EP disclosed