SCHEMBL6960720

SCHEMBL6960720

CCCCOc1ccc(C(=N)NN)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
RAB9A P51151 2/20 0.54
PRSS1 P07477 6/20 0.53
TMPRSS2 O15393 2/20 0.53
PRMT1 Q99873 3/20 0.51
F2 P00734 2/20 0.51
ST14 Q9Y5Y6 2/20 0.51
PLAU P00749 1/20 0.51
PRMT5 O14744 1/20 0.51
SLC22A2 O15244 1/20 0.51
SLC22A1 O15245 1/20 0.51
PTP4A3 O75365 1/20 0.51
SLC22A3 O75751 1/20 0.51
F10 P00742 1/20 0.51
PLG P00747 1/20 0.51
S100B P04271 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
ADRA2A P08913 1/20 0.51

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
SCHEMBL6956710 0.95 TP53 (0.58) GAARAB9APRSS1TMPRSS2PRMT1
SCHEMBL6957533 0.95 TP53 (0.58) GAARAB9APRSS1TMPRSS2PRMT1
SCHEMBL6961787 0.93 PLK1 (0.54) GAARAB9APRSS1TMPRSS2PRMT1
SCHEMBL6961256 0.86 PRSS1 (0.65) RAB9APRSS1ADRA2ATP53TSHR
SCHEMBL6407420 0.84 MMP1 (0.56) GAARAB9APRSS1TMPRSS2CYP2D6
SCHEMBL14367305 0.84 PLK1 (0.56) GAARAB9APRSS1TMPRSS2PRMT1
SCHEMBL6950948 0.83 PRSS1 (0.56) PRSS1F2PLG
SCHEMBL8718224 0.81 TP53 (0.57) GAARAB9APRSS1TP53TSHR
SCHEMBL19486143 0.81 RAB9A (0.49) GAARAB9APRSS1TMPRSS2PRMT1
SCHEMBL10762321 0.81 PLK1 (0.65) GAARAB9ATP53TSHRNPC1

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