SCHEMBL4057537

SCHEMBL4057537

COc1ccc(Cl)c(-c2nc(Cl)nc(Cl)c2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.48
HSP90AB1 P08238 2/20 0.48
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
PDE2A O00408 5/20 0.39
PDE10A Q9Y233 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
KDM1A O60341 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
CYP17A1 P05093 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GFER P55789 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 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
SCHEMBL19785375 0.75 HSP90AA1 (0.56) HSP90AA1HSP90AB1CYP1A2PDE2APDE10A
SCHEMBL2493822 0.72 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL17022583 0.71 ALDH1A1 (0.54) HSP90AA1HSP90AB1GAASMN1; SMN2MAPT
SCHEMBL25339277 0.69 HSP90AA1 (0.55) HSP90AA1HSP90AB1CYP1A2PDE2APDE10A
SCHEMBL31119002 0.69 HSP90AA1 (0.55) HSP90AA1HSP90AB1CYP1A2PDE2APDE10A
SCHEMBL2415584 0.69 SCN2A (0.51) HSP90AA1HSP90AB1CYP1A2TP53KDM1A
SCHEMBL7777278 0.69 HSP90AA1 (0.50) HSP90AA1HSP90AB1CYP1A2SMN1; SMN2TP53
SCHEMBL4721203 0.68 HSP90AA1 (0.54) HSP90AA1HSP90AB1CYP1A2PDE2APDE10A
SCHEMBL2173715 0.67 ALDH1A1 (0.47) GAACYP1A2SMN1; SMN2ALDH1A1GFER
SCHEMBL31265235 0.67 MAPK14 (0.50) HSP90AA1HSP90AB1CYP11B1CYP11B2KDM4E

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-2009035668-A1 FACILE ASSEMBLY OF FUSED BENZOFURO-HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 WO disclosed