SCHEMBL2334149

SCHEMBL2334149

CCC(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc(N)cc3[N+](=O)[O-])c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MAPT P10636 5/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
FFAR1 O14842 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2335120 0.86 FNTA (0.44) MAPTKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL2337545 0.84 MAPT (0.54) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL2336817 0.82 MEN1 (0.52) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL826296 0.81 BRAF (0.60) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL3638532 0.79 FFAR1 (0.47) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL826565 0.77 PTGS1 (0.57) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL3636294 0.77 CDK8 (0.53)
SCHEMBL2334105 0.74 KDR (0.55) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2336732 0.74 KDR (0.61) KMT2ABRAFKDR
SCHEMBL3639218 0.74 KDR (0.41) POLBMAPTMEN1KMT2AALDH1A1

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