SCHEMBL27907919

SCHEMBL27907919

CC(=O)Cc1c[c]cc(CN)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.33
▸ NOS1 P29475 3/20 0.33
▸ NOS2 P35228 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NOS3 P29474 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ LOXL2 Q9Y4K0 2/20 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
SCHEMBL12081708 0.81 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EPOLBNOS1NOS2
SCHEMBL27972897 0.78 LOXL2 (0.36) LOXL2
SCHEMBL12081994 0.74 RXRA (0.38) SMN1; SMN2KDM4EPOLBNOS1NOS2
SCHEMBL8105331 0.74 NOS1 (0.53) SMN1; SMN2KDM4ENOS1NOS2ALDH1A1
SCHEMBL1570394 0.73 LMNA (0.40) SMN1; SMN2POLBALDH1A1CYP3A4
SCHEMBL11079658 0.73 KDM4E (0.52) SMN1; SMN2KDM4EPOLBNOS1NOS2
SCHEMBL27382003 0.73 TAAR1 (0.34) NOS1NOS2NOS3LOXL2
SCHEMBL27827075 0.72 KEAP1 (0.44) ALDH1A1
SCHEMBL298153 0.70 AKR1B1 (0.48) KDM4EPOLBALDH1A1NFKB1
SCHEMBL18705883 0.69 — —

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 6 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
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