SCHEMBL6961906

SCHEMBL6961906

CCCCCCCCc1ccccc1-c1nnn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
GPR3 P46089 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
KCNH2 Q12809 1/20 0.37
PTPN1 P18031 1/20 0.36
CYSLTR2 Q9NS75 4/20 0.36
CYSLTR1 Q9Y271 4/20 0.36
HSD11B1 P28845 1/20 0.36
BID P55957 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
BAK1 Q16611 1/20 0.35

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
SCHEMBL6957954 1.00 LIPG (0.44) LIPGNR1H2NR1H3GPR3ALOX5
SCHEMBL27262019 1.00 LIPG (0.44) LIPGNR1H2NR1H3GPR3ALOX5
SCHEMBL6962603 0.94 NR1H2 (0.36) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL23014684 0.92 NR1H2 (0.41) LIPGNR1H2NR1H3PTPN1CYSLTR2
SCHEMBL6962835 0.88 ADRA2B (0.33)
SCHEMBL6955797 0.85 BID (0.38) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL24416944 0.82 ALOX5 (0.37) LIPGALOX5PTGS2KCNH2
SCHEMBL24416955 0.82 MAPT (0.40) LIPGALOX5PTGS2KCNH2
SCHEMBL6956747 0.81 TRPA1 (0.41)
SCHEMBL6957300 0.81 HSD11B1 (0.47) GPR3HSD11B1

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