SCHEMBL10691813

SCHEMBL10691813

CC(=NNC(=S)NC(C)(C)C)c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.72
SLC2A1 P11166 2/20 0.62
HSP90AA1 P07900 5/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
OPRK1 P41145 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
PTBP1 P26599 1/20 0.61
HTT P42858 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HKDC1 Q2TB90 4/20 0.58
AGTR1 P30556 3/20 0.55
NPC1 O15118 2/20 0.51
MITF O75030 1/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL17987719 0.84 TOP2A (1.00) TOP2ASLC2A1HSP90AA1RAB9ASMN1; SMN2
SCHEMBL9321802 0.84 TOP2A (1.00) TOP2ASLC2A1HSP90AA1RAB9ASMN1; SMN2
SCHEMBL29883013 0.84 TOP2A (1.00) TOP2ASLC2A1HSP90AA1RAB9ASMN1; SMN2
SCHEMBL22056136 0.82 TOP2A (0.76) TOP2ASLC2A1HSP90AA1RAB9ASMN1; SMN2
SCHEMBL9320842 0.80 TOP2A (0.72) TOP2ASLC2A1HSP90AA1RAB9ASMN1; SMN2
SCHEMBL22056641 0.80 HSP90AA1 (0.77) TOP2ASLC2A1HSP90AA1RAB9ASMN1; SMN2
SCHEMBL22056829 0.80 TOP2A (0.72) TOP2ASLC2A1HSP90AA1RAB9ASMN1; SMN2
SCHEMBL9321797 0.80 TOP2A (1.00) TOP2ASLC2A1HSP90AA1RAB9ASMN1; SMN2
SCHEMBL9321789 0.80 HSP90AA1 (0.77) TOP2ASLC2A1HSP90AA1RAB9ASMN1; SMN2
SCHEMBL29882840 0.80 TOP2A (0.72) TOP2ASLC2A1HSP90AA1RAB9ASMN1; SMN2

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
US-4719221-A ANTIPROTOZOA AGENTS BURROUGHS WELLCOME CO. (US) 1988-01-12 US disclosed