SCHEMBL6957571

SCHEMBL6957571

NC(=S)c1cc(=O)c2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 6/20 0.54
GABRD O14764 6/20 0.54
GABRA1 P14867 6/20 0.54
GABRB1 P18505 6/20 0.54
GABRG2 P18507 6/20 0.54
GABRB3 P28472 6/20 0.54
GABRA5 P31644 6/20 0.54
GABRA3 P34903 6/20 0.54
GABRA2 P47869 6/20 0.54
GABRB2 P47870 6/20 0.54
GABRA4 P48169 6/20 0.54
GABRE P78334 6/20 0.54
GABRA6 Q16445 6/20 0.54
GABRG1 Q8N1C3 6/20 0.54
GABRG3 Q99928 6/20 0.54
GABRQ Q9UN88 6/20 0.54
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
POLB P06746 1/20 0.46
NPC1 O15118 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
SCHEMBL8123062 0.87 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4252552 0.84 ALDH1A1 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4258041 0.80 KDM4E (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7889310 0.78 GPR35 (0.47) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL4249935 0.78 AKR1B1 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4252400 0.77 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4253620 0.77 MAOB (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6956271 0.76 ALDH1A1 (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4251638 0.75 MAOB (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4250542 0.75 MAOB (0.51) GABRPGABRDGABRA1GABRB1GABRG2

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