SCHEMBL6091535

SCHEMBL6091535

COC(=O)c1ccc(NCS(C)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
POLB P06746 2/20 0.57
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 4/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 1/20 0.54
AGTR1 P30556 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.49
HKDC1 Q2TB90 1/20 0.49
CA12 O43570 2/20 0.48
CA7 P43166 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48

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
SCHEMBL3960465 0.83 ALDH1A1 (0.50) HPGDPOLBCA1CA2MEN1
SCHEMBL6230453 0.82 KMT2A (0.50) POLBCA1CA2KMT2AALDH1A1
SCHEMBL4185091 0.81 POLB (0.66) HPGDPOLBMEN1KMT2AALDH1A1
SCHEMBL25046258 0.80 POLB (0.66) HPGDPOLBCA1CA2MEN1
SCHEMBL1798924 0.78 POLB (0.64) HPGDPOLBCA1CA2MEN1
SCHEMBL30942706 0.78 POLB (0.59) HPGDPOLBCA1CA2MEN1
SCHEMBL165561 0.78 ALDH1A1 (0.46) HPGDPOLBCA1CA2MEN1
SCHEMBL63833 0.77 HPGD (0.70) HPGDPOLBCA1CA2MEN1
SCHEMBL18392321 0.75 POLB (0.60) HPGDPOLBCA1CA2MEN1
SCHEMBL11718244 0.75 RAB9A (0.71) HPGDPOLBCA1CA2MEN1

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-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 WO disclosed