SCHEMBL20207765

SCHEMBL20207765

CC(=O)CCS(=O)(=O)NC(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
SLC15A2 Q16348 1/20 0.32
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL17620948 0.79 TSHR (0.46) ALDH1A1KMT2AMAPTHTTLMNA
SCHEMBL8919021 0.77 ALDH1A1 (0.35) ALDH1A1POLBNPSR1TDP1CA14
SCHEMBL22916912 0.76 FAAH (0.41) ALDH1A1KMT2APOLBMEN1
SCHEMBL70980 0.75 ALDH1A1 (0.43) ALDH1A1KMT2APOLBMAPTHTT
SCHEMBL20034868 0.75 CA2 (0.30) NPSR1
SCHEMBL26144797 0.72 KDM4E (0.48) ALDH1A1
SCHEMBL26997871 0.72 POLB (0.35) ALDH1A1KMT2APOLBMAPTHTT
SCHEMBL805360 0.72 ACACB (0.37)
SCHEMBL17620947 0.71 ATR (0.36)
SCHEMBL19818541 0.70 ALDH1A1 (0.43) ALDH1A1KMT2APOLBMAPTHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed