SCHEMBL9167945

SCHEMBL9167945

CC(C)(C)NC(=O)C#CI

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL18031063 0.77 EPHX1 (0.34) EPHX1POLBMEN1KMT2A
SCHEMBL8950868 0.75 EPHX1 (0.33) EPHX1POLBMEN1KMT2A
SCHEMBL12379100 0.75 EPHX1 (0.33) EPHX1POLBMEN1KMT2A
SCHEMBL28860780 0.75 EPHX1 (0.33) EPHX1POLBMEN1KMT2A
SCHEMBL19104254 0.71 KDM4C (0.31) EPHX1POLB
SCHEMBL18133908 0.71 EPHX1 (0.31) EPHX1POLB
SCHEMBL21980901 0.70
SCHEMBL3483750 0.69
SCHEMBL19669891 0.67 CHRM1 (0.41) POLBMEN1KMT2A
SCHEMBL19669889 0.67 KDM4E (0.31)

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-6239818-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-H06239818-A ANTIBACTERIAL AND ANTIFUNGAL AGENT TAKEDA CHEM IND LTD 1994-08-30 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