SCHEMBL7900704

SCHEMBL7900704

NC(=S)c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
MAOB P27338 3/20 0.52
MAOA P21397 2/20 0.52
PLAU P00749 1/20 0.51
HDAC1 Q13547 1/20 0.50
PLA2G10 O15496 1/20 0.48
PLA2G2A P14555 1/20 0.48
FFAR1 O14842 1/20 0.47
CTSL P07711 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL7899233 0.92 MAOB (0.55) SMN1; SMN2MAOBMAOAHDAC1PLA2G10
SCHEMBL7889275 0.90 HDAC1 (0.54) SMN1; SMN2MAOBMAOAHDAC1HTR2A
SCHEMBL7897928 0.90 HDAC1 (0.54) SMN1; SMN2MAOBMAOAHDAC1HTR2A
SCHEMBL7897904 0.87 PLA2G10 (0.64) SMN1; SMN2PLA2G10PLA2G2ACTSLLMNA
SCHEMBL7898203 0.82 MAOA (0.52) SMN1; SMN2MAOBMAOAPLAUCTSL
SCHEMBL10597986 0.81 MAOA (0.54) SMN1; SMN2MAOBMAOAFFAR1CTSL
SCHEMBL7897887 0.80 NPC1 (0.62) MAOBMAOAFFAR1NPC1RAB9A
SCHEMBL702198 0.79 MAOA (0.52) SMN1; SMN2MAOBMAOAFFAR1CTSL
SCHEMBL700765 0.79 CA12 (0.61) SMN1; SMN2MAOBMAOAFFAR1NPC1
SCHEMBL28017864 0.79 FFAR1 (0.56) FFAR1NPC1RAB9ALMNA

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