SCHEMBL10072228

SCHEMBL10072228

CNC(=O)NC1CCSC1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL19605323 0.80 PSEN1 (0.36)
SCHEMBL6979164 0.78
SCHEMBL13762127 0.74
SCHEMBL2085604 0.72
SCHEMBL12588569 0.70 EPHX1 (0.48) EPHX1LMNA
SCHEMBL12522719 0.70 EPHX1 (0.48) EPHX1LMNA
SCHEMBL13888656 0.70 EPHX1 (0.48) EPHX1LMNA
SCHEMBL12851325 0.70
SCHEMBL12522714 0.70 EPHX1 (0.48) EPHX1LMNA
SCHEMBL19571016 0.68 EPHX1 (0.61) EPHX1POLB

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-1854800-B1 Antitumoral derivatives of Ecteinascidin ET-743 PHARMA MAR SA (ES) 2012-06-27 EP disclosed