Sugi Predict

Sugi Predict / Compounds / Ethyne

Ethyne

Ethyne

SCHEMBL7605585

C#C.O=C(O)c1[nH]c2cc(Cl)c(O)c(Cl)c2c1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR17 Q13304 6/20 0.45
▸ RNASEH1 O60930 1/20 0.44
▸ GRIN1 Q05586 4/20 0.41
▸ FBP1 P09467 1/20 0.39
▸ KDM4A O75164 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38

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
SCHEMBL7592453 0.72 GPR35 (0.43) GPR17RNASEH1
SCHEMBL7596983 0.71 KDM4A (0.45) GPR17GRIN1KDM4AKDM5AKDM5B
SCHEMBL7817673 0.70 MCL1 (0.48) GPR17GRIN1
SCHEMBL7072708 0.69 GPR17 (0.61) GPR17
SCHEMBL7682574 0.68 KDM4A (0.43) GPR17RNASEH1KDM4AKDM5AKDM5B
SCHEMBL7680945 0.68 PTPRC (0.44) GPR17RNASEH1KDM4AKDM5AKDM5B
SCHEMBL8095087 0.68 RNASEH1 (0.42) GPR17RNASEH1GRIN1KDM4AKDM5A
SCHEMBL7842628 0.68 KDM4E (0.47) —
SCHEMBL7074236 0.67 POLB (0.47) —
SCHEMBL7076761 0.66 MCL1 (0.48) GPR17RNASEH1FBP1KDM4AKDM5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252142-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2002-10-30 — — EP disclosed
WO-2001051466-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-07-19 — — WO disclosed