SCHEMBL21443034

SCHEMBL21443034

CCCCCC(I)CC(=O)NC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 10/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ EPHX2 P34913 2/20 0.49
▸ SIGMAR1 Q99720 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL23723115 0.82 EPHX1 (0.52) EPHX1SMN1; SMN2EPHX2
SCHEMBL27046896 0.82 EPHX1 (0.52) EPHX1SMN1; SMN2EPHX2
SCHEMBL9000960 0.78 SMN1; SMN2 (0.50) EPHX1SMN1; SMN2EPHX2SIGMAR1NPSR1
SCHEMBL22055472 0.76 SMN1; SMN2 (0.78) EPHX1SMN1; SMN2EPHX2
SCHEMBL931252 0.76 SMN1; SMN2 (0.78) EPHX1SMN1; SMN2EPHX2
Hydrochloric Acid SCHEMBL11875799 0.76 SMN1; SMN2 (0.51) EPHX1SMN1; SMN2EPHX2SIGMAR1NPSR1
SCHEMBL8493278 0.76 SMN1; SMN2 (0.48) EPHX1SMN1; SMN2EPHX2SIGMAR1NPSR1
SCHEMBL7888130 0.75 SMN1; SMN2 (0.60) EPHX1SMN1; SMN2EPHX2
SCHEMBL28519865 0.75 SMN1; SMN2 (0.60) EPHX1SMN1; SMN2EPHX2
SCHEMBL21443012 0.74 SMN1; SMN2 (0.75) EPHX1SMN1; SMN2EPHX2

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-3231798-B1 THIAZOLE INTERMEDIATES USEFUL IN THE PREPARATION OF RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2019-10-09 — — EP disclosed
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