SCHEMBL2337545

SCHEMBL2337545

CCC(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3C#N)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
LMNA P02545 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
ALDH1A1 P00352 4/20 0.54
HTT P42858 2/20 0.52
EYA2 O00167 1/20 0.52
HSP90AA1 P07900 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FFAR1 O14842 1/20 0.48
HPGD P15428 1/20 0.47
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SETD7 Q8WTS6 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL2336817 0.89 MEN1 (0.52) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2335120 0.86 FNTA (0.44) MAPTKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL2334149 0.84 POLB (0.47) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL827385 0.81 BRAF (0.58) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3638532 0.79 FFAR1 (0.47) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL826543 0.75 MEN1 (0.53) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3639218 0.74 KDR (0.41) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3636294 0.74 CDK8 (0.53)
SCHEMBL2338143 0.73 KMT2A (0.58) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2334105 0.71 KDR (0.55) MAPTKMT2ALMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358689-A1 Benzothiazole derivatives as anticancer agents Takeda Pharmaceutical Company Limited (JP) 2011-08-24 EP disclosed
WO-2010064722-A1 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 WO disclosed