SCHEMBL2335120

SCHEMBL2335120

CCC(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc(N)cc3C#N)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
PGGT1B P53609 2/20 0.44
NR1H4 Q96RI1 6/20 0.42
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 1/20 0.41
PLAU P00749 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL2337545 0.86 MAPT (0.54) KMT2ASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL2334149 0.86 POLB (0.47) KMT2ASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL3636294 0.80 CDK8 (0.53) NR1H4THRB
SCHEMBL826173 0.79 BRAF (0.56)
SCHEMBL2334105 0.77 KDR (0.55) NR1H4KMT2ASMN1; SMN2PLAUALDH1A1
SCHEMBL2336817 0.77 MEN1 (0.52) KMT2ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL2338143 0.76 KMT2A (0.58) NR1H4KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL2336732 0.76 KDR (0.61) KMT2A
SCHEMBL2334508 0.74 KDR (0.72) KMT2A
SCHEMBL3638532 0.73 FFAR1 (0.47) NR1H4KMT2ASMN1; SMN2THRBMAPT

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