SCHEMBL6955082

SCHEMBL6955082

COc1cccc(C(=N)NN)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.66
PRSS2 P07478 1/20 0.66
PRSS3 P35030 1/20 0.66
PARP1 P09874 1/20 0.56
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
STS P08842 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL640726 0.84 PRSS1 (0.62) PRSS1PRSS2PRSS3PARP1CES2
SCHEMBL26241053 0.84 PRSS1 (0.62) PRSS1PRSS2PRSS3PARP1CES2
Hydrochloric Acid SCHEMBL28548430 0.82 PRSS1 (0.61) PRSS1PRSS2PRSS3PARP1CES2
SCHEMBL6961856 0.81 TP53 (0.50) PRSS1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2853839 0.80 KDM4E (0.42) PRSS1PRSS2PRSS3KMT2AALDH1A1
SCHEMBL428920 0.79 PRSS1 (1.00) PRSS1PRSS2PRSS3PARP1CES2
SCHEMBL23682628 0.79 PRSS1 (0.57) PRSS1PRSS2PRSS3PARP1CES2
Hydrochloric Acid SCHEMBL28549376 0.79 PRSS1 (0.57) PRSS1PRSS2PRSS3PARP1CES2
SCHEMBL6954288 0.79 KMT2A (0.59) PRSS1PRSS2PRSS3NPC1RAB9A
SCHEMBL4205950 0.79 PARP1 (0.56) PRSS1PRSS2PRSS3PARP1CES2

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