SCHEMBL6961256

SCHEMBL6961256

CCOc1ccc(C(=N)NN)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.65
PRSS2 P07478 1/20 0.65
PRSS3 P35030 1/20 0.65
PARP10 Q53GL7 1/20 0.55
NQO1 P15559 1/20 0.52
PLK1 P53350 1/20 0.51
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
USP2 O75604 1/20 0.45
PLA2G4B P0C869 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.44
ADRA2A P08913 1/20 0.44

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
SCHEMBL6961787 0.86 PLK1 (0.54) PRSS1PRSS2PRSS3PLK1RAB9A
SCHEMBL6960720 0.86 GAA (0.54) PRSS1TSHRNPC1RAB9ATP53
SCHEMBL6957533 0.82 TP53 (0.58) PRSS1TSHRNPC1RAB9ATP53
SCHEMBL6956710 0.82 TP53 (0.58) PRSS1TSHRNPC1RAB9ATP53
SCHEMBL6961856 0.80 TP53 (0.50) PRSS1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2636457 0.79 PLK1 (0.73) PARP10PLK1NPC1RAB9ASMN1; SMN2
SCHEMBL428950 0.79 PRSS1 (1.00) PRSS1PRSS2PRSS3PARP10ADRA2A
SCHEMBL2646271 0.79 PRSS1 (0.61) PRSS1PRSS2PRSS3PARP10PLK1
SCHEMBL6486178 0.78 PRSS1 (0.70) PRSS1PRSS2PRSS3PARP10NQO1
SCHEMBL31072919 0.78 PARP10 (0.55) PRSS1PRSS2PRSS3PARP10NQO1

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 8 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
EP-0039892-B1 SUBSTITUTED PHENYL ETHERS CIBA-GEIGY AG (CH) 1986-12-30 EP disclosed
US-4559354-A ADRENERGIC BLOCKING AGENTS AND STIMULANTS; CARDIOTONIC, ANTIARRHYTHMIA AND INOTROPIC AGENTS CIBA-GEIGY CORPORATION (US) 1985-12-17 US disclosed
EP-0039892-A1 Substituted phenyl ethers CIBA-GEIGY AG (CH) 1981-11-18 EP disclosed