SCHEMBL17833237

SCHEMBL17833237

CNCCCNc1nc(-c2cccc(-c3cccc(Cl)c3Cl)c2)nc2c(C)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
RAD52 P43351 1/20 0.39
ACP1 P24666 1/20 0.37
CNR2 P34972 1/20 0.37
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2D6 P10635 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NR4A2 P43354 1/20 0.36
MAPK1 P28482 2/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL17829853 0.89 RAD52 (0.53) KMT2ARAD52ACP1ALDH1A1POLB
SCHEMBL17833189 0.83 KMT2A (0.39) KMT2ARAD52ACP1CYP1A2CYP3A4
SCHEMBL17829964 0.82 CYP1A2 (0.37) KMT2ARAD52ACP1CYP1A2CYP3A4
SCHEMBL17829890 0.81 RAD52 (0.53) KMT2ARAD52ACP1ALDH1A1POLB
SCHEMBL17833144 0.81 SMN1; SMN2 (0.47) KMT2ARAD52ACP1CYP1A2CYP3A4
SCHEMBL17829910 0.79 SYK (0.44) KMT2ARAD52ACP1CYP1A2CYP3A4
SCHEMBL17833274 0.79 SYK (0.39) KMT2ARAD52ACP1CYP1A2CYP3A4
SCHEMBL17833162 0.79 SYK (0.39) KMT2ARAD52ACP1CYP1A2CYP3A4
SCHEMBL17833191 0.79 RAD52 (0.42) KMT2ARAD52ACP1CYP1A2CYP3A4
SCHEMBL17833278 0.76 CYP11B2 (0.38) KMT2ARAD52ACP1CYP1A2CYP3A4

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
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed