SCHEMBL8801637

SCHEMBL8801637

CCC1(C(F)(F)F)Oc2ccc([N+](=O)[O-])cc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.41
KDM1A O60341 1/20 0.37
AKR1B1 P15121 3/20 0.36
CAPN9 O14815 1/20 0.35
CASP3 P42574 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PGR P06401 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL56146 0.77 ALDH1A1 (0.51) ALPLAKR1B1CAPN9CASP3ALDH1A1
SCHEMBL3715441 0.76 ALPL (0.48) ALPLKDM1AAKR1B1CAPN9CASP3
SCHEMBL8799331 0.75 MAPT (0.44) ALPLKDM1AAKR1B1ALDH1A1PGR
SCHEMBL8799897 0.73 ALPL (0.45) ALPLKDM1AAKR1B1CAPN9CASP3
SCHEMBL8800996 0.73 ALPL (0.45) ALPLAKR1B1CAPN9CASP3ALDH1A1
SCHEMBL15212007 0.72 ALPL (0.43) ALPLAKR1B1CAPN9CASP3ALDH1A1
SCHEMBL13007730 0.72 ALPL (0.47) ALPLAKR1B1CAPN9CASP3ALDH1A1
SCHEMBL17708209 0.72 ALPL (0.37) ALPLAKR1B1CAPN9CASP3ALDH1A1
SCHEMBL8634618 0.72 NPC1 (0.46) ALPLAKR1B1CAPN9CASP3ALDH1A1
SCHEMBL2104226 0.71 TRPV1 (0.47) ALPLALDH1A1MAPTKMT2AKDM4E

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