SCHEMBL8314919

SCHEMBL8314919

CNC(=S)C1=C(O)C2(CCOCC2)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.37
KMT2A Q03164 6/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
MGLL Q99685 2/20 0.34
RAB9A P51151 3/20 0.34
POLB P06746 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
MEN1 O00255 4/20 0.33
NPC1 O15118 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CTSB P07858 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL8795683 0.83 ALDH1A1 (0.40) SMN1; SMN2KMT2AALDH1A1HPGDMAPT
SCHEMBL8313582 0.78 TLR3 (0.38) SMN1; SMN2KMT2AALDH1A1MAPTLMNA
SCHEMBL8316959 0.77 ALDH1A1 (0.35) SMN1; SMN2KMT2AALDH1A1HPGDMAPT
SCHEMBL8313838 0.77 ALDH1A1 (0.35) SMN1; SMN2KMT2AALDH1A1HPGDMAPT
SCHEMBL8794948 0.71 ALDH1A1 (0.40) SMN1; SMN2KMT2AALDH1A1MAPTMALT1
SCHEMBL8312851 0.70 TLR3 (0.38) SMN1; SMN2KMT2AALDH1A1MAPTLMNA
SCHEMBL8796257 0.70 ALDH1A1 (0.36) SMN1; SMN2KMT2AALDH1A1MAPTMALT1
SCHEMBL15337524 0.68 ALPL (0.44) SMN1; SMN2KMT2AALDH1A1MAPTRAB9A
SCHEMBL8317389 0.67 TLR3 (0.38) SMN1; SMN2KMT2AALDH1A1LMNAMGLL
SCHEMBL8314386 0.67 ALDH1A1 (0.38) SMN1; SMN2KMT2AALDH1A1MAPTLMNA

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