SCHEMBL7991328

SCHEMBL7991328

CC(C)(C)Oc1ccc(C(=O)Nc2ccc3oc(C(N)=S)cc(=O)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.49
POLB P06746 3/20 0.47
MAOB P27338 5/20 0.45
ACHE P22303 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SNCA P37840 1/20 0.42
THRB P10828 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7889536 0.89 MAOA (0.60) MAOAPOLBACHEKMT2AMAPT
SCHEMBL7889305 0.88 MAOA (0.51) MAOAPOLBMAOBACHEKMT2A
SCHEMBL6952243 0.86 MAOA (0.50) MAOAPOLBMAOBACHETRPV1
SCHEMBL7897072 0.86 POLB (0.65) MAOAPOLBKMT2AMAPTMEN1
SCHEMBL7899059 0.84 POLB (0.55) MAOAPOLBKMT2AMAPTMEN1
SCHEMBL7896357 0.84 POLB (0.55) MAOAPOLBKMT2AMAPTMEN1
SCHEMBL7897922 0.82 MAOB (0.56) MAOAPOLBMAOBACHEKMT2A
SCHEMBL7899216 0.82 POLB (0.52) MAOAPOLBKMT2AMAPTMEN1
SCHEMBL7896345 0.82 POLB (0.52) MAOAPOLBKMT2AMAPTMEN1
SCHEMBL6962073 0.82 TRPV1 (0.43) MAOAPOLBMAOBACHETRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed