SCHEMBL8799434

SCHEMBL8799434

CC1(C(F)(F)F)Oc2ccc(S(=O)(=O)c3ccccc3)cc2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
POLB P06746 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HSD11B1 P28845 1/20 0.37
ABCC9 O60706 5/20 0.37
ABCC8 Q09428 2/20 0.37
KCNJ11 Q14654 2/20 0.37
KCNJ8 Q15842 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HTR6 P50406 4/20 0.35
CYP19A1 P11511 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL9144927 0.83 BRD4 (0.55) BRD4POLBABCC9SMN1; SMN2ALDH1A1
SCHEMBL8799530 0.77 HTR6 (0.37) POLBHSD11B1ABCC9ABCC8KCNJ11
SCHEMBL8799345 0.77 HTR6 (0.37) POLBHSD11B1ABCC9ABCC8KCNJ11
SCHEMBL8799701 0.77 HTR6 (0.37) POLBHSD11B1ABCC9ABCC8KCNJ11
SCHEMBL8799971 0.75 FEN1 (0.36) BRD4POLBABCC9SMN1; SMN2ALDH1A1
SCHEMBL2905155 0.73 BRD4 (0.65) BRD4POLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL9149858 0.72 HTR6 (0.40) BRD4POLBABCC9SMN1; SMN2ALDH1A1
SCHEMBL2898736 0.69 PKM (0.59) SMN1; SMN2ALDH1A1PKMMEN1CYP3A4
SCHEMBL9478042 0.67 MGAT2 (0.39) BRD4POLBABCC9SMN1; SMN2ALDH1A1
SCHEMBL8799918 0.67 HTR2C (0.37) POLBSMN1; SMN2ALDH1A1MAPTHTR6

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