SCHEMBL6960902

SCHEMBL6960902

N=C(NN)c1ccc(OCCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
FFAR1 O14842 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LTA4H P09960 2/20 0.47
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PRSS1 P07477 1/20 0.45
PPARG P37231 1/20 0.44
GP6 Q9HCN6 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
SCHEMBL6961292 0.91 PLA2G4B (0.54) FFAR1PRSS1
SCHEMBL6953213 0.90 PLA2G4B (0.56) FFAR1PRSS1
SCHEMBL6950680 0.90 PLA2G4B (0.56) FFAR1PRSS1
SCHEMBL6949193 0.84 MAPT (0.60) RAB9AMAPTSMN1; SMN2PRSS1GAA
SCHEMBL6961791 0.84 PRSS1 (0.54) NPC1RAB9AFFAR1PRSS1
SCHEMBL28597324 0.83 MEN1 (0.65) NPC1RAB9AFFAR1CA12CA1
SCHEMBL6962838 0.82 PLAU (0.51) NPC1RAB9AFFAR1MAPTNFKB1
SCHEMBL6957250 0.79 HDAC1 (0.51)
SCHEMBL9456979 0.78 NPC1 (0.80) NPC1RAB9AFFAR1CA12CA1
SCHEMBL6961787 0.78 PLK1 (0.54) RAB9ALTA4HPRSS1GAA

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