SCHEMBL6962073

SCHEMBL6962073

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.43
MAOA P21397 2/20 0.42
SNCA P37840 2/20 0.42
POLB P06746 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.39
MAOB P27338 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6956513 0.89 MAOA (0.52) MAOANPC1RAB9AMAPTTHRB
SCHEMBL6957301 0.87 THRB (0.49) MAOAPOLBNPC1RAB9ACTDSP1
SCHEMBL6962606 0.86 POLB (0.57) POLBNPC1RAB9AMAPTMEN1
SCHEMBL6956732 0.84 RAB9A (0.53) POLBNPC1RAB9AMAPTTHRB
SCHEMBL6954145 0.84 MAPT (0.53) POLBNPC1RAB9AMAPTMEN1
SCHEMBL6956722 0.82 MAOB (0.50) SNCANPC1RAB9AMAOBMEN1
SCHEMBL6949295 0.82 NR1H4 (0.52) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6960480 0.82 NR1H4 (0.52) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7991328 0.82 MAOA (0.49) TRPV1MAOASNCAPOLBNPC1
SCHEMBL6952243 0.80 MAOA (0.50) TRPV1MAOAPOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
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
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed