SCHEMBL17875149

SCHEMBL17875149

Cc1cc(OCc2ccc(CNC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@]4(N)NC(=O)N[C@]34N)cc2)nc(N)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD11 O00231 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KMT2A Q03164 3/20 0.32
LMNA P02545 1/20 0.32
RNF168 Q8IYW5 1/20 0.32
TRPV1 Q8NER1 3/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
PSMB1 P20618 5/20 0.31
PSMB5 P28074 5/20 0.31
PSMB2 P49721 5/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 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
SCHEMBL10025880 0.80 CA12 (0.56) PSMD11CA12CA1CA2CA9
SCHEMBL10025884 0.72 CA12 (0.58) PSMD11CA12CA1CA2CA9
SCHEMBL10025883 0.69 CA12 (0.59) CA12CA1CA2CA9RNF168
SCHEMBL13845558 0.67 TPSAB1 (0.48) KMT2ALMNAHDAC3HDAC4HDAC1
SCHEMBL10025882 0.67 GAA (0.47) KMT2ALMNAHDAC1HDAC6ALDH1A1
SCHEMBL11896724 0.66 CA12 (0.38) PSMD11CA12CA1CA2CA9
SCHEMBL2749274 0.64 PIN1 (0.56) LMNA
SCHEMBL11896715 0.63 CA12 (0.59) CA12CA1CA2CA9RNF168
SCHEMBL18573951 0.61 SMN1; SMN2 (0.47) KMT2AHDAC1HDAC6MEN1ALDH1A1
SCHEMBL19526079 0.61 HLCS (0.38) KMT2AMEN1ALDH1A1MAPT

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
EP-1874738-B1 PYRIMIDINES REACTING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE COVALYS BIOSCIENCES AG (CH) 2016-06-29 EP disclosed