SCHEMBL15865633

SCHEMBL15865633

S=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 7/20 0.67
MAPT P10636 4/20 0.59
TP53 P04637 2/20 0.59
DUSP1 P28562 3/20 0.57
THRB P10828 1/20 0.57
BCHE P06276 1/20 0.55
PTGES O14684 1/20 0.51

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
SCHEMBL7262987 0.80 AGPAT2 (1.00) AGPAT2MAPTTP53THRB
SCHEMBL7258569 0.79 AGPAT2 (0.77) AGPAT2MAPTTP53THRB
SCHEMBL2133422 0.78 AGPAT2 (0.61) AGPAT2MAPTTP53THRB
SCHEMBL12861182 0.74 PTGS2 (0.60) AGPAT2MAPTTP53
SCHEMBL7258809 0.74 AGPAT2 (1.00) AGPAT2MAPTTP53THRB
SCHEMBL14642398 0.74 MAPT (0.78) AGPAT2MAPTTP53THRB
SCHEMBL14642400 0.74 TP53 (0.62) MAPTTP53
SCHEMBL13679544 0.73 MAPT (0.79) AGPAT2MAPTTP53THRB
SCHEMBL2493940 0.72 MAPT (0.69) AGPAT2MAPTTP53
SCHEMBL4555003 0.72 IDO1 (0.78) MAPTTHRB

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
US-8772275-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2014-07-08 US disclosed