SCHEMBL27382003

SCHEMBL27382003

CCc1c[c]cc(CN)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
PSIP1 O75475 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.33
CA2 P00918 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30

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
SCHEMBL297355 0.87 TP53 (0.36) TAAR1CA2NOS3NOS1NOS2
SCHEMBL27972897 0.87 LOXL2 (0.36) TAAR1PSIP1LOXL2CA2
SCHEMBL28322641 0.78 TP53 (0.31)
SCHEMBL9973082 0.76 TAAR1 (0.42) TAAR1PSIP1LOXL2NOS3NOS1
SCHEMBL9853386 0.76 TAAR1 (0.42) TAAR1PSIP1LOXL2NOS3NOS1
SCHEMBL18705883 0.76
SCHEMBL16950734 0.76 CNR1 (0.34) TAAR1CA2
SCHEMBL294585 0.76
SCHEMBL16951566 0.76 ACHE (0.33)
SCHEMBL27327455 0.76 LOXL2 (0.32) LOXL2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104277004-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN disclosed
CN-104326952-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN disclosed
CN-103180300-B Process for producing pyridazinone compound and intermediate thereof SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-10-07 CN disclosed
CN-104326952-A METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO 2015-02-04 CN disclosed
CN-104277004-A METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO 2015-01-14 CN disclosed
CN-103180300-A Process for producing pyridazinone compound and intermediate thereof SUMITOMO CHEMICAL CO 2013-06-26 CN disclosed
CN-101115748-B Acetamide compounds as fungicides SYNGENTA PARTICIPATIONS AG 2011-06-08 CN disclosed
CN-101151249-B Cyclopentapyridine and tetrahydroquinoline derivatives PFIZER PRODUCTS INC. (US) 2011-04-06 CN disclosed
CN-101151249-A Cyclopentapyridine and tetrahydroquinoline derivatives PFIZER (US) 2008-03-26 CN disclosed
CN-101115748-A Acetamide compounds as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2008-01-30 CN disclosed
CN-1813099-A Method for Purifying Dry Cleaning Solvents PROCTER & GAMBLE (US) 2006-08-02 CN disclosed
CN-1077586-C Flame-retardant resin composition DAICEL CHEM (JP) 2002-01-09 CN disclosed
CN-1113250-A Flame-retardant resin composition DAICEL CHEM (JP) 1995-12-13 CN disclosed