SCHEMBL9165872

SCHEMBL9165872

CCCCNC(=O)C#CI

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.48
ACHE P22303 8/20 0.45
MMP2 P08253 2/20 0.45
NAAA Q02083 1/20 0.42
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
MMP1 P03956 1/20 0.41
CASP2 P42575 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9170775 0.94 EPHX1 (0.54) EPHX1NAAACASP2MEN1KMT2A
SCHEMBL9166245 0.92 EPHX1 (0.57) EPHX1NAAACASP2
SCHEMBL9167760 0.92 EPHX1 (0.57) EPHX1NAAACASP2
SCHEMBL9172408 0.92 EPHX1 (0.57) EPHX1NAAACASP2
SCHEMBL9163796 0.92 EPHX1 (0.57) EPHX1NAAACASP2
SCHEMBL9171880 0.92 EPHX1 (0.57) EPHX1NAAACASP2
SCHEMBL9169116 0.92 EPHX1 (0.57) EPHX1NAAACASP2
SCHEMBL9172390 0.92 EPHX1 (0.57) EPHX1NAAACASP2
SCHEMBL9172022 0.92 EPHX1 (0.57) EPHX1NAAACASP2
SCHEMBL9171562 0.92 EPHX1 (0.57) EPHX1NAAACASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519427-B1 N-substituted-3-iodopropiolamide, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-04-26 EP claimed
EP-0552418-A1 N-substituted-3-iodopropiolamide, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP claimed
EP-0519427-A2 N-substituted-3-iodopropiolamide, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-23 EP claimed
JP-5255215-A None JP disclosed
EP-0519427-B1 N-substituted-3-iodopropiolamide, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-04-26 EP disclosed
JP-H05255215-A N-SUBSTITUTED-3-IODOPROPIOLIC ACID AMIDE COMPOUND, ITS PRODUCTION AND USE TAKEDA CHEM IND LTD 1993-10-05 JP disclosed
EP-0552418-A1 N-substituted-3-iodopropiolamide, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0519427-A2 N-substituted-3-iodopropiolamide, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-23 EP disclosed