SCHEMBL8313838

SCHEMBL8313838

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNMA1 Q12791 1/20 0.33
AKR1B1 P15121 1/20 0.33
HPGD P15428 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
UBE2N P61088 1/20 0.32
MAPK1 P28482 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
SCHEMBL8316959 0.90 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL8795683 0.83 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL8314083 0.78 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL8312522 0.78 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL8314919 0.77 SMN1; SMN2 (0.37) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL8794948 0.71 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL8314879 0.70 MEN1 (0.36) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL8314877 0.70 MEN1 (0.36) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL8313499 0.69 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL8312387 0.69 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1

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 5 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-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
US-5646308-A POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP disclosed
EP-0632033-A1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-01-04 EP disclosed