SCHEMBL11208586

SCHEMBL11208586

O=C(O)Nc1ccc2nc(-c3cscn3)[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 8/20 0.63
METAP2 P50579 5/20 0.63
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA3 P07451 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
KDM4E B2RXH2 5/20 0.54
TP53 P04637 5/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL11208569 0.90 METAP1 (0.55) METAP1METAP2CA12CA1CA2
SCHEMBL13624132 0.89 METAP1 (0.64) METAP1METAP2CA12CA1CA2
SCHEMBL3500750 0.87 METAP1 (0.59) METAP1METAP2CA12CA1CA2
SCHEMBL4369718 0.85 METAP1 (0.63) METAP1METAP2CA12CA1CA2
SCHEMBL4367996 0.85 METAP1 (0.60) METAP1METAP2CA12CA1CA2
Thiabendazole SCHEMBL28170923 0.84 METAP1 (0.71) METAP1METAP2CA12CA1CA2
SCHEMBL13624139 0.84 METAP1 (0.62) METAP1METAP2CA12CA1CA2
SCHEMBL4368728 0.84 METAP1 (0.59) METAP1METAP2CA12CA1CA2
Cambendazole SCHEMBL2895694 0.83 METAP1 (0.55) METAP1METAP2CA12CA1CA2
SCHEMBL4371759 0.83 MAPT (0.59) METAP1METAP2KDM4ETP53RAB9A

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-0090368-A1 Anthelmintic preparations HOECHST UK LIMITED (GB) 1983-10-05 EP disclosed