SCHEMBL6960447

SCHEMBL6960447

ClCOc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.43
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
XDH P47989 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
GSTP1 P09211 1/20 0.32
DCUN1D2 Q6PH85 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
ABL1 P00519 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
SCHEMBL6956235 0.90 GP6 (0.43) GP6ALDH1A1TP53FFAR4L3MBTL1
SCHEMBL6962608 0.87 MAPT (0.47) GP6ALDH1A1TP53KMT2AXDH
SCHEMBL6952889 0.85 RAB9A (0.46) GP6ALDH1A1TP53L3MBTL1MAPT
SCHEMBL6956207 0.85 CYP2C9 (0.48) GP6ALDH1A1L3MBTL1MAPTCYP19A1
SCHEMBL6962635 0.82 AKT1 (0.36) GP6DCUN1D2DCUN1D1
SCHEMBL6961694 0.82 ABL1 (0.51) ALDH1A1KMT2AXDHL3MBTL1MAPT
SCHEMBL29034386 0.79 DCUN1D1 (0.45) ALDH1A1TP53CYP2C9CYP2C19NPC1
SCHEMBL29499607 0.79 DCUN1D1 (0.47) ALDH1A1TP53CYP2C9CYP2C19NPC1
SCHEMBL3397570 0.79 DCUN1D1 (0.47) ALDH1A1TP53CYP2C9CYP2C19NPC1
SCHEMBL1773521 0.77 FYN (0.39) DCUN1D2DCUN1D1

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