SCHEMBL5701327

SCHEMBL5701327

CCCC(=NNC(N)=S)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TOP2A P11388 2/20 0.49
RAB9A P51151 2/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
NPC1 O15118 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CTSL P07711 1/20 0.43
CTSK P43235 1/20 0.43
HKDC1 Q2TB90 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PTBP1 P26599 1/20 0.42
OPRK1 P41145 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL22056886 0.88 TOP2A (0.51) LMNAKDM4EHTTSMN1; SMN2TOP2A
SCHEMBL5701316 0.88 TOP2A (0.51) LMNAKDM4EHTTSMN1; SMN2TOP2A
SCHEMBL941093 0.79 TOP2A (0.70) LMNAKDM4EHTTSMN1; SMN2TOP2A
SCHEMBL9319994 0.79 TOP2A (0.70) LMNAKDM4EHTTSMN1; SMN2TOP2A
SCHEMBL941092 0.79 TOP2A (0.70) LMNAKDM4EHTTSMN1; SMN2TOP2A
SCHEMBL17183613 0.79 RAB9A (0.56) LMNAKDM4EHTTSMN1; SMN2TOP2A
SCHEMBL3087162 0.79 TOP2A (0.49) LMNAKDM4EHTTSMN1; SMN2TOP2A
SCHEMBL800985 0.79 AGTR1 (0.53) LMNAKDM4ESMN1; SMN2TOP2ARAB9A
SCHEMBL29402921 0.79 AGTR1 (0.53) LMNAKDM4ESMN1; SMN2TOP2ARAB9A
SCHEMBL28494134 0.78 TOP2A (0.68) LMNAKDM4EHTTSMN1; SMN2TOP2A

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-1377591-B1 TUMOUR INHIBITING GALLIUM COMPOUNDS FAUSTUS FORSCHUNGS CIE (DE) 2006-06-28 EP disclosed