SCHEMBL6954288

SCHEMBL6954288

CCCOc1cccc(C(=N)NN)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
PRSS1 P07477 9/20 0.54
NR1H4 Q96RI1 1/20 0.50
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PRSS2 P07478 1/20 0.50
C1S P09871 1/20 0.50
PRSS3 P35030 1/20 0.50
SMPD1 P17405 3/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KAT6A Q92794 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL6950948 0.93 PRSS1 (0.56) KMT2APRSS1NR1H4F2PLG
SCHEMBL6956448 0.90 SMPD1 (0.61) KMT2APRSS1NR1H4SMPD1TSHR
SCHEMBL6961779 0.90 SMPD1 (0.61) KMT2APRSS1NR1H4SMPD1TSHR
SCHEMBL6961856 0.88 TP53 (0.50) KMT2APRSS1NR1H4F2ALDH1A1
SCHEMBL11213011 0.83 KMT2A (0.69) KMT2ANR1H4SMPD1ALDH1A1LMNA
SCHEMBL13901353 0.83 PRSS1 (0.78) KMT2APRSS1F2PLGPRSS2
SCHEMBL6961791 0.81 PRSS1 (0.54) PRSS1NR1H4F2PLGPRSS2
SCHEMBL6961787 0.81 PLK1 (0.54) PRSS1F2PLGPRSS2PRSS3
SCHEMBL6952958 0.79 PRSS1 (0.55) PRSS1NR1H4F2PLGPRSS2
SCHEMBL6955082 0.79 PRSS1 (0.66) KMT2APRSS1PRSS2PRSS3ALDH1A1

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