SCHEMBL8795374

SCHEMBL8795374

CC1(C)C=C(/C(=N/C2CC2)NC#N)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.34
ABCC9 O60706 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
EGFR P00533 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 5/20 0.31
MAPT P10636 5/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
RAB9A P51151 1/20 0.31
TLR9 Q9NR96 1/20 0.31
HPGD P15428 1/20 0.31
NR3C1 P04150 2/20 0.31
PGR P06401 2/20 0.31
AR P10275 2/20 0.31
NR3C2 P08235 1/20 0.31
MMP14 P50281 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL8795103 1.00 AKR1B1 (0.34) AKR1B1ABCC9MEN1KMT2AEGFR
SCHEMBL8795892 0.87 EGFR (0.34) AKR1B1ABCC9MEN1KMT2AEGFR
SCHEMBL8795889 0.87 EGFR (0.34) AKR1B1ABCC9MEN1KMT2AEGFR
SCHEMBL8795381 0.80 KMT2A (0.38) AKR1B1ABCC9MEN1KMT2AEGFR
SCHEMBL8794999 0.80 EGFR (0.36) AKR1B1ABCC9EGFRALDH1A1MAPT
SCHEMBL8795895 0.79 EGFR (0.34) AKR1B1ABCC9MEN1KMT2AEGFR
SCHEMBL8794786 0.76 MEN1 (0.35) AKR1B1ABCC9MEN1KMT2AEGFR
SCHEMBL8794789 0.76 MEN1 (0.35) AKR1B1ABCC9MEN1KMT2AEGFR
SCHEMBL9566804 0.76 MAPT (0.36) AKR1B1MEN1KMT2APOLBALDH1A1
SCHEMBL8316094 0.75 TLR3 (0.35) AKR1B1MEN1KMT2AEGFRPOLB

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-0541807-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1997-12-17 EP disclosed
US-5412117-A Potassium channel activators, antiasmatics, antiepileptics CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-05-02 US disclosed
EP-0541807-A1 NOVEL BENZOPYRAN DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-05-19 EP disclosed