SCHEMBL8799331

SCHEMBL8799331

CCC1(C(F)(F)F)CNc2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PGR P06401 3/20 0.36
NR3C1 P04150 2/20 0.36
AR P10275 2/20 0.36
AKR1B1 P15121 2/20 0.36
ESPL1 Q14674 2/20 0.35
NR3C2 P08235 1/20 0.35
KDM1A O60341 1/20 0.34
ALPL P05186 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PNMT P11086 4/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
TLR3 O15455 1/20 0.33
NOX1 Q9Y5S8 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
SCHEMBL90071 0.78 MAPT (0.54) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8801637 0.75 ALPL (0.41) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8801204 0.74 MAPT (0.46) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8799087 0.70 MAPT (0.36) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL9143251 0.67 MAPT (0.50) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2721900 0.66 MAPT (0.48) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL56146 0.66 ALDH1A1 (0.51) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL9427783 0.65 AKR1B1 (0.42) MAPTMEN1KMT2AAKR1B1ESPL1
SCHEMBL429310 0.65 MAPT (0.57) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL3715441 0.65 ALPL (0.48) MAPTNPC1RAB9AMEN1KMT2A

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