SCHEMBL8315362

SCHEMBL8315362

CNC(=S)C1=CC(C)(C(F)(F)F)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
AKR1B1 P15121 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
MAPT P10636 2/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 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
SCHEMBL8315842 0.88 AKR1B1 (0.35) ALDH1A1KMT2AMEN1CA1CA9
SCHEMBL8794948 0.85 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL8311414 0.84 AKR1B1 (0.39) ALDH1A1KMT2AMEN1CA1CA9
SCHEMBL8313498 0.83 RECQL (0.32) ALDH1A1SMN1; SMN2KMT2AAKR1B1MAPT
SCHEMBL8312387 0.82 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL8313499 0.82 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL8796257 0.79 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL8312522 0.78 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL8313582 0.78 TLR3 (0.38) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL8314083 0.78 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1

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