SCHEMBL8313489

SCHEMBL8313489

N#CCCNC(=O)C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.34
GAA P10253 3/20 0.34
EGFR P00533 1/20 0.34
RECQL P46063 1/20 0.34
AKR1B1 P15121 1/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 5/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 6/20 0.32
HTT P42858 2/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.31
HPRT1 P00492 1/20 0.31

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
SCHEMBL8314846 0.89 EGFR (0.33) EGFRRECQLAKR1B1HPRT1
SCHEMBL8316418 0.89 MAPT (0.37) MAPTGAARECQLAKR1B1POLB
SCHEMBL8436805 0.87 RECQL (0.38) MAPTGAAEGFRRECQLAKR1B1
SCHEMBL8311243 0.85 ALDH1A1 (0.36) MAPTGAARECQLAKR1B1POLB
SCHEMBL8313695 0.84 KDM4E (0.34) MAPTRECQLPOLBLMNAMEN1
SCHEMBL8313504 0.84
SCHEMBL8314217 0.84
SCHEMBL8316738 0.84 ABCC9 (0.32)
SCHEMBL8313718 0.84
Hydrochloric Acid SCHEMBL8311713 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632033-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-04-07 EP disclosed
US-5646308-A POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0632033-A1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-01-04 EP disclosed