SCHEMBL2335804

SCHEMBL2335804

CC(Cl)C(C#N)c1cccc(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.45
ENPEP Q07075 1/20 0.45
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
MAPT P10636 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
PMP22 Q01453 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CXCL8 P10145 1/20 0.42
THPO P40225 1/20 0.42

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
SCHEMBL2334680 0.81 ESR1 (0.43) ANPEPSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL30789009 0.81 ANPEP (0.50) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL687298 0.81 ANPEP (0.50) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL2446964 0.81 ANPEP (0.50) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL8658142 0.77 ANPEP (0.53) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL11567553 0.76 ESR1 (0.41) MAPTSMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL2337192 0.75 ANPEP (0.51) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL7503915 0.75 ANPEP (0.58) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL371525 0.75 ANPEP (0.58) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL30444032 0.75 RXRA (0.66) ANPEPENPEPPTGS1PTGS2MAPT

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