SCHEMBL11237613

SCHEMBL11237613

CCOC(=O)C1(F)C(=O)NC(=O)NC1SC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 3/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
PDE1C Q14123 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL11241152 0.80 ALDH1A1 (0.38) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL11240689 0.78 ALDH1A1 (0.37) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL11248698 0.75 ALDH1A1 (0.35) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL11249308 0.74 POLB (0.41) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL11243202 0.74 HSD17B10 (0.36) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL11246583 0.74 HSD17B10 (0.36) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL11233822 0.74 ALDH1A1 (0.42) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL11243861 0.73 MAPK1 (0.39) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL11236134 0.71 ALDH1A1 (0.43) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL11250408 0.71 ALDH1A1 (0.40) POLBMEN1KMT2AALDH1A1HTT

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
US-4329460-A ANTICANCER AGENTS, ANTIVIRAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-11 US claimed
US-4329460-A ANTICANCER AGENTS, ANTIVIRAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-11 US disclosed