SCHEMBL8315152

SCHEMBL8315152

CN=C(C1=CC(C)(COC)Oc2ccc([N+](=O)[O-])cc21)N(C)C#N

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.30
AKR1B1 P15121 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8793993 0.85 EGFR (0.34) EGFRAKR1B1ALDH1A1MEN1KMT2A
SCHEMBL8313666 0.82 TBXA2R (0.31) EGFRAKR1B1ALDH1A1MEN1KMT2A
SCHEMBL8794707 0.81 NR3C1 (0.32) EGFRAKR1B1ALDH1A1
SCHEMBL8316461 0.80 L3MBTL1 (0.41) AKR1B1ALDH1A1MEN1KMT2A
SCHEMBL8314196 0.80 TLR3 (0.34) EGFRAKR1B1ALDH1A1
SCHEMBL8316194 0.79 ALDH1A1 (0.33) AKR1B1ALDH1A1MEN1KMT2A
SCHEMBL8314877 0.76 MEN1 (0.36) AKR1B1ALDH1A1MEN1KMT2A
SCHEMBL8312522 0.75 ALDH1A1 (0.36) AKR1B1ALDH1A1MEN1KMT2A
SCHEMBL8795239 0.73 GAA (0.36) AKR1B1ALDH1A1MEN1KMT2A
SCHEMBL29442980 0.70 EGFR (0.34) EGFRAKR1B1ALDH1A1

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