SCHEMBL6955693

SCHEMBL6955693

CCCCCCCCCCCCCCCOc1ccc(C(=O)Nc2ccc3oc(-c4nnn[nH]4)cc(=O)c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 8/20 0.53
CYSLTR1 Q9Y271 8/20 0.53
RUVBL1 Q9Y265 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NR1H4 Q96RI1 2/20 0.46
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
NPC1 O15118 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.43
STAT3 P40763 1/20 0.43

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
SCHEMBL6960379 1.00 CYSLTR2 (0.53) CYSLTR2CYSLTR1RUVBL1MEN1KMT2A
SCHEMBL6957932 0.97 CYSLTR2 (0.51) CYSLTR2CYSLTR1RUVBL1MEN1KMT2A
SCHEMBL6961859 0.94 RUVBL1 (0.49) CYSLTR2CYSLTR1RUVBL1MEN1KMT2A
SCHEMBL6950746 0.91 POLB (0.51) RUVBL1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6962842 0.89 RUVBL1 (0.66) CYSLTR2CYSLTR1RUVBL1NR1H4
SCHEMBL6956086 0.88 RUVBL1 (0.67) CYSLTR2CYSLTR1RUVBL1NR1H4MAPT
SCHEMBL6953660 0.86 MAPT (0.48) RUVBL1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9032524 0.86 CYSLTR2 (0.59) CYSLTR2CYSLTR1NR1H4
SCHEMBL6961590 0.85 RUVBL1 (0.50) CYSLTR2CYSLTR1RUVBL1NR1H4MAPT
SCHEMBL6961802 0.85 THRB (0.47) RUVBL1MEN1KMT2AMAPTSMN1; SMN2

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