SCHEMBL7897848

SCHEMBL7897848

NC(=S)c1cc(=O)c2cccc(NC(=O)CCCCCCCCCCCCCCCc3ccccc3)c2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 13/20 0.59
CYSLTR2 Q9NS75 2/20 0.48
CYSLTR1 Q9Y271 2/20 0.48
GPR55 Q9Y2T6 1/20 0.45
ALOX5 P09917 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
F13A1 P00488 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
PGR P06401 1/20 0.42
HTR1A P08908 1/20 0.42
AR P10275 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
ADORA1 P30542 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL7896347 1.00 GPR35 (0.59) GPR35CYSLTR2CYSLTR1GPR55ALOX5
SCHEMBL7897075 0.93 GPR35 (0.62) GPR35CYSLTR2CYSLTR1GPR55
SCHEMBL8106090 0.91 GPR35 (0.62) GPR35CYSLTR2CYSLTR1GPR55ABCC4
SCHEMBL7898198 0.88 GPR35 (0.59) GPR35CYSLTR2CYSLTR1
SCHEMBL7896999 0.88 GPR35 (0.59) GPR35CYSLTR2CYSLTR1
SCHEMBL8106887 0.87 GPR35 (0.64) GPR35CYSLTR2CYSLTR1GPR55HDAC1
SCHEMBL6951132 0.86 GPR35 (0.57) GPR35CYSLTR2CYSLTR1GPR55ALOX5
SCHEMBL6956919 0.86 GPR35 (0.57) GPR35CYSLTR2CYSLTR1GPR55ALOX5
SCHEMBL8109312 0.84 GPR35 (0.61) GPR35CYSLTR2CYSLTR1GPR55ABCC4
SCHEMBL8122842 0.82 GPR35 (0.58) GPR35CYSLTR2CYSLTR1GPR55

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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