SCHEMBL8795683

SCHEMBL8795683

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AKR1B1 P15121 1/20 0.34
PTPRC P08575 1/20 0.34
S100A4 P26447 1/20 0.34

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
SCHEMBL8314919 0.83 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL8313838 0.83 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL8316959 0.83 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL8794928 0.81 KMT2A (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL8794948 0.77 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL8795668 0.77 ABCC9 (0.34) KMT2AMEN1CYP3A4MALT1CYP1A2
SCHEMBL8313499 0.72 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL8312387 0.72 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL8315362 0.72 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL8796257 0.71 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-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