SCHEMBL8314846

SCHEMBL8314846

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.33
RECQL P46063 1/20 0.31
AKR1B1 P15121 1/20 0.31
HPRT1 P00492 1/20 0.31
CTSL P07711 1/20 0.30

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
SCHEMBL8315190 0.90 RECQL (0.33) EGFRRECQLAKR1B1
SCHEMBL8313489 0.89 MAPT (0.34) EGFRRECQLAKR1B1HPRT1
SCHEMBL8313498 0.85 RECQL (0.32) EGFRRECQLAKR1B1
SCHEMBL8312387 0.83 ALDH1A1 (0.37) AKR1B1CTSL
SCHEMBL6269281 0.81
SCHEMBL6267682 0.80
SCHEMBL8121742 0.79 CTSL (0.37) EGFRAKR1B1CTSL
SCHEMBL8316418 0.79 MAPT (0.37) RECQLAKR1B1
SCHEMBL8315380 0.79
SCHEMBL6270429 0.77 AKR1B1 (0.40) AKR1B1

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