SCHEMBL8314083

SCHEMBL8314083

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
HTT P42858 2/20 0.35
KMT2A Q03164 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKR1B1 P15121 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
EPHX1 P07099 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL8312522 0.89 ALDH1A1 (0.36) ALDH1A1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL8314879 0.88 MEN1 (0.36) ALDH1A1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL8312387 0.87 ALDH1A1 (0.37) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL8794948 0.83 ALDH1A1 (0.40) ALDH1A1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL8313499 0.81 ALDH1A1 (0.37) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL8315362 0.78 ALDH1A1 (0.37) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL8316959 0.78 ALDH1A1 (0.35) ALDH1A1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL8313838 0.78 ALDH1A1 (0.35) ALDH1A1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL8796257 0.77 ALDH1A1 (0.36) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL8314877 0.77 MEN1 (0.36) ALDH1A1HTTKMT2ASMN1; SMN2MEN1

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