SCHEMBL6956235

SCHEMBL6956235

ClCCOc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 2/20 0.43
TGFBR1 P36897 1/20 0.41
FFAR4 Q5NUL3 4/20 0.35
CYP19A1 P11511 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL6960447 0.90 GP6 (0.43) GP6FFAR4CYP19A1CYP2C9CYP2C19
SCHEMBL6952889 0.86 RAB9A (0.46) GP6CYP19A1CYP2C9CYP2C19ALDH1A1
SCHEMBL6956207 0.86 CYP2C9 (0.48) GP6CYP19A1CYP2C9CYP2C19ALDH1A1
SCHEMBL6962608 0.83 MAPT (0.47) GP6ALDH1A1NPC1TP53GAA
SCHEMBL6961694 0.79 ABL1 (0.51) ALDH1A1L3MBTL1HDAC4HDAC2HDAC8
SCHEMBL6962635 0.79 AKT1 (0.36) GP6
SCHEMBL29034386 0.76 DCUN1D1 (0.45) CYP2C9CYP2C19ALDH1A1CYP1A2NPC1
SCHEMBL29499607 0.76 DCUN1D1 (0.47) CYP2C9CYP2C19ALDH1A1CYP1A2NPC1
SCHEMBL3397570 0.76 DCUN1D1 (0.47) CYP2C9CYP2C19ALDH1A1CYP1A2NPC1
SCHEMBL1773521 0.74 FYN (0.39)

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