SCHEMBL6957296

SCHEMBL6957296

N#Cc1ccccc1OCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.52
FNTB P49356 4/20 0.52
PGGT1B P53609 4/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP11B1 P15538 4/20 0.48
CYP11B2 P19099 4/20 0.48
CYP19A1 P11511 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
IDO1 P14902 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL7078940 0.90 FNTA (0.54) FNTAFNTBPGGT1BALDH1A1MEN1
SCHEMBL6960881 0.88 NAAA (0.56) FNTAFNTBPGGT1BALDH1A1MEN1
SCHEMBL6960554 0.88 NAAA (0.56) FNTAFNTBPGGT1BALDH1A1MEN1
SCHEMBL22784142 0.86 MAOB (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL9034892 0.84 NAAA (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL4604160 0.83 FNTA (0.43) FNTAFNTBPGGT1BALDH1A1CYP11B1
SCHEMBL6539340 0.82 CYP11B1 (0.45) CYP11B1CYP11B2NPC1RAB9AIDO1
SCHEMBL448079 0.81 MAOB (0.57) FNTAFNTBPGGT1BALDH1A1MAOB
SCHEMBL4485604 0.81 FNTA (0.55) FNTAFNTBPGGT1BALDH1A1CYP11B1
SCHEMBL17912813 0.80 CYP11B1 (0.56) CYP11B1CYP11B2KDM4ESMN1; SMN2GAA

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-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
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed