SCHEMBL6955322

SCHEMBL6955322

CCCCCCCCCCCCCCCc1ccccc1C(=N)NN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.50
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CYSLTR2 Q9NS75 4/20 0.39
CYSLTR1 Q9Y271 4/20 0.39
ALOX5 P09917 2/20 0.39

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
SCHEMBL6949124 1.00 LIPG (0.50) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL6955710 0.94 CYP3A4 (0.42) LIPGALOX5PTGS2CYP3A4MAPT
SCHEMBL6958331 0.87 ALDH1A1 (0.37) LIPGCYP3A4MAPTTSHRHTT
SCHEMBL6958346 0.84 SIGMAR1 (0.43) BIDMCL1BCL2L1BAK1ALOX5
SCHEMBL6961297 0.84 SIGMAR1 (0.43) BIDMCL1BCL2L1BAK1ALOX5
SCHEMBL975933 0.84 LIPG (0.49) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL6955302 0.83 MAOA (0.43) BIDMCL1BCL2L1BAK1
SCHEMBL4433080 0.83 LIPG (0.51) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL10619679 0.82 LIPG (0.54) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL27813777 0.82 LIPG (0.54) LIPGBIDMCL1BCL2L1BAK1

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