SCHEMBL6961369

SCHEMBL6961369

CC(=O)Nc1ccc2oc(C#N)cc(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.51
CSNK2B P67870 2/20 0.51
CSNK2A1 P68400 1/20 0.51
POLB P06746 3/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
HPGD P15428 2/20 0.46
ESR1 P03372 1/20 0.46
CA1 P00915 1/20 0.46
MAP2K1 Q02750 1/20 0.42
MAOB P27338 3/20 0.42
MAOA P21397 1/20 0.42
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6957133 0.86 PDE10A (0.45) POLBKMT2AMAPTMEN1ALDH1A1
SCHEMBL6956722 0.82 MAOB (0.50) KMT2AMEN1ALDH1A1KDM4ECA9
SCHEMBL17786550 0.80 CSNK2A2 (0.55) CSNK2A2CSNK2BCSNK2A1POLBKMT2A
SCHEMBL6961170 0.80 SMN1; SMN2 (0.50) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL6962459 0.80 SMN1; SMN2 (0.50) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL6956513 0.80 MAOA (0.52) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL6957301 0.78 THRB (0.49) POLBKMT2AMAPTMEN1ALDH1A1
SCHEMBL5560749 0.78 KMT2A (0.60) CSNK2A2CSNK2BCSNK2A1POLBKMT2A
SCHEMBL6962606 0.78 POLB (0.57) POLBKMT2AMAPTMEN1ALDH1A1
SCHEMBL6962073 0.78 TRPV1 (0.43) POLBKMT2AMAPTMEN1ALDH1A1

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