SCHEMBL6955797

SCHEMBL6955797

c1ccc(CCCCCCCCc2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
BAK1 Q16611 1/20 0.38
IDO1 P14902 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
CES1 P23141 1/20 0.38
NCEH1 Q6PIU2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 8/20 0.38
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
MAOA P21397 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36

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
SCHEMBL6961607 1.00 BID (0.38) BIDBCL2L1MCL1BAK1IDO1
SCHEMBL6955545 0.89 IDO1 (0.48) IDO1IDO2L3MBTL1MAPTPTGER1
SCHEMBL6961906 0.85 LIPG (0.44) BIDBCL2L1MCL1BAK1CYSLTR2
SCHEMBL27262019 0.85 LIPG (0.44) BIDBCL2L1MCL1BAK1CYSLTR2
SCHEMBL6957954 0.85 LIPG (0.44) BIDBCL2L1MCL1BAK1CYSLTR2
SCHEMBL6962603 0.82 NR1H2 (0.36) MAPT
SCHEMBL6961073 0.81 HTR2A (0.37) BCL2L1IDO1IDO2MAOB
SCHEMBL6952842 0.81 IDO1 (0.48) IDO1CYSLTR2CYSLTR1MAPT
SCHEMBL6960625 0.81 IDO1 (0.48) IDO1CYSLTR2CYSLTR1MAPT
SCHEMBL6960108 0.80 MAOB (0.42) CES1NCEH1SIGMAR1MAOAMAPT

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