SCHEMBL2335530

SCHEMBL2335530

CCC(C#N)c1cccc(C(=O)Nc2cc(O)ccc2F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.41
ACLY P53396 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
KCNMA1 Q12791 3/20 0.38
TP53 P04637 2/20 0.38
PPARG P37231 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.36
RXFP1 Q9HBX9 2/20 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
SCHEMBL2337315 0.77 G6PD (0.40) MEN1KMT2AKCNMA1GAAMAPT
SCHEMBL826757 0.76 KDR (0.48) DHODHACLYTAS1R3TAS1R1TAS1R2
SCHEMBL2341169 0.73 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2858561 0.73 BRAF (0.55) ACLYTAS1R3TAS1R1TAS1R2MEN1
SCHEMBL14833067 0.65 PNMT (0.47) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL23417746 0.64 TSHR (0.51) MEN1KMT2ARAB9AMAPTTSHR
SCHEMBL21814318 0.63 MEN1 (0.70) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL953306 0.62 CES2 (0.37) MEN1KMT2AGAA
SCHEMBL25899692 0.62 RAB9A (0.50) MEN1KMT2ARAB9ATP53USP2
SCHEMBL21678086 0.62 ALDH1A1 (0.48) MEN1KMT2ARAB9ANR1H4MAPT

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