SCHEMBL2492296

SCHEMBL2492296

CN1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.69
▸ KCNH2 Q12809 2/20 0.62

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
SCHEMBL1752706 0.89 CYP2C19 (0.74) CYP2C19KCNH2
SCHEMBL15259272 0.89 CYP2C19 (0.71) CYP2C19KCNH2
SCHEMBL2488290 0.88 CYP2C19 (0.67) CYP2C19KCNH2
SCHEMBL15253728 0.87 CYP2C19 (0.69) CYP2C19KCNH2
SCHEMBL20357794 0.87 CYP2C19 (0.66) CYP2C19KCNH2
SCHEMBL15259271 0.86 CYP2C19 (0.68) CYP2C19KCNH2
Hydrochloric Acid SCHEMBL18091089 0.86 CYP2C19 (0.68) CYP2C19KCNH2
SCHEMBL15254190 0.86 CYP2C19 (0.68) CYP2C19KCNH2
SCHEMBL15254127 0.86 CYP2C19 (0.65) CYP2C19KCNH2
SCHEMBL15259270 0.86 CYP2C19 (0.70) CYP2C19KCNH2

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
WO-2011132070-A1 PROCESS FOR THE PREPARATION OF 2-AMINO-SUBSTITUTED 1,3-BENZOTHIAZINE-4-ONES MAKAROV VADIM A (RU) 2011-10-27 — — WO disclosed
EP-2380886-A1 Process for the preparation of 2-aminosubstituted 1,3-benzothiazine-4-ones Makarov Vadim A. (RU) 2011-10-26 — — EP disclosed
Send feedback