SCHEMBL8799530

SCHEMBL8799530

C[C@]1(C(F)(F)F)CNc2cc(S(=O)(=O)c3ccccc3)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.37
ABCC9 O60706 5/20 0.37
HSD11B1 P28845 1/20 0.36
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PNMT P11086 1/20 0.34
WNT3 P56703 1/20 0.34
SFRP1 Q8N474 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL8799345 1.00 HTR6 (0.37) HTR6ABCC9HSD11B1ABCC8KCNJ11
SCHEMBL8799701 1.00 HTR6 (0.37) HTR6ABCC9HSD11B1ABCC8KCNJ11
SCHEMBL9149858 0.84 HTR6 (0.40) HTR6ABCC9HTR2CHTR2BALDH1A1
SCHEMBL8799918 0.78 HTR2C (0.37) HTR6HTR2CHTR2BALDH1A1SMN1; SMN2
SCHEMBL8799434 0.77 BRD4 (0.40) HTR6ABCC9HSD11B1ABCC8KCNJ11
SCHEMBL2898016 0.74 HTR6 (0.40) HTR6ABCC9HTR2CHTR2BALDH1A1
SCHEMBL8799297 0.72 CFTR (0.36) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL8799826 0.72 CFTR (0.36) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL9144927 0.72 BRD4 (0.55) HTR6ABCC9ALDH1A1SMN1; SMN2POLB
SCHEMBL8882769 0.70 HTR6 (0.34) HTR6ABCC9HSD11B1ABCC8KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700798-A Methods for using benzoxazines for treating asthma ZENECA LIMITED (GB) 1997-12-23 US disclosed
EP-0698022-B1 1,4-BENZOXAZINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS ZENECA LTD (GB) 1997-09-17 EP disclosed
EP-0698022-A1 1,4-BENZOXAZINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS ZENECA LTD (GB) 1996-02-28 EP disclosed
US-5486515-A 2-fluoroalkyl-1,4-benzoxaxines as potassium channel mediators ZENECA LIMITED (GB) 1996-01-23 US disclosed
WO-1994026739-A1 1,4-BENZOXAZINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS ZENECA LIMITED (GB) 1994-11-24 WO disclosed