SCHEMBL19593737

SCHEMBL19593737

CC(C)c1ccc(OCC(=O)NNC(S)NC(=O)c2ccco2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.47
ACACB O00763 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL19299700 0.85 ALDH1A1 (0.57) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL12697080 0.80 KDM4E (0.74) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL19299702 0.74 MAPT (0.54) KMT2AMAPTALDH1A1HPGDPOLB
SCHEMBL21416869 0.72 RAB9A (0.47) KMT2AALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL8241785 0.69 RAB9A (0.66) KMT2AMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL1106975 0.69 KMT2A (0.62) KMT2AMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL19294525 0.68 RECQL (0.55) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL12591803 0.68 KMT2A (0.63) KMT2AMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL19299646 0.68 UBE2N (0.59) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8430118 0.68 RAB9A (0.68) KMT2AMAPTALDH1A1SMN1; SMN2HPGD

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-3243513-A1 USE OF THE RNASE INHIBITOR RNPA-3000 FOR TREATING STAPHYLOCOCCUS INFECTIONS University Of Rochester (US) 2017-11-15 EP disclosed