SCHEMBL7889274

SCHEMBL7889274

NC(=S)c1ccccc1-c1ccc(CCl)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.42
MAOB P27338 2/20 0.38
LTB4R2 Q9NPC1 5/20 0.36
PPARG P37231 2/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL7899207 0.86 BCAT2 (0.44) BCAT2MAOBLTB4R2CHRNB2CHRNB4
SCHEMBL7897892 0.84 TAAR1 (0.48) BCAT2MAOBLTB4R2
SCHEMBL31717704 0.83 BCAT2 (0.65) BCAT2LTB4R2PPARGSLC6A4SLC6A3
SCHEMBL7897093 0.83 BCAT2 (0.42) BCAT2MAOBLTB4R2PPARGSLC6A3
SCHEMBL7899173 0.83 TDP1 (0.45) BCAT2MAOBLTB4R2PPARG
SCHEMBL7896340 0.83 SMN1; SMN2 (0.52) BCAT2LTB4R2PPARGSLC6A4SLC6A3
SCHEMBL7900715 0.81 MAOB (0.56) BCAT2MAOB
SCHEMBL8343625 0.80 SLC6A4 (0.53) BCAT2MAOBSLC6A4SLC6A3
SCHEMBL7889269 0.80 PPARG (0.44) LTB4R2PPARG
SCHEMBL7899237 0.80 LPAR1 (0.42) BCAT2MAOBLTB4R2

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