SCHEMBL28039081

SCHEMBL28039081

CC(=O)Cc1cccc2cc[c]nc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MTNR1A P48039 5/20 0.36
▸ MTNR1B P49286 5/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ CD38 P28907 1/20 0.33
▸ IAPP P10997 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ SIRT5 Q9NXA8 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
SCHEMBL5748085 0.84 GABRA1 (0.42) MTNR1AMTNR1BPARP1PTGDR2CD38
SCHEMBL19036261 0.76 HDAC6 (0.50) TDP1PARP1LMNAALDH1A1METAP2
SCHEMBL4810494 0.74 ALDH1A1 (0.43) L3MBTL1TDP1LMNAALDH1A1METAP2
SCHEMBL5745775 0.73 KCNH2 (0.53) —
SCHEMBL16289662 0.71 KDM4E (0.46) PARP1LMNAALDH1A1POLB
SCHEMBL2304470 0.71 METAP2 (0.38) PARP1LMNAALDH1A1METAP2
SCHEMBL266575 0.69 TDP1 (0.69) L3MBTL1TDP1ALDH1A1SIRT5
SCHEMBL30716622 0.69 TDP1 (0.69) L3MBTL1TDP1ALDH1A1SIRT5
SCHEMBL6805430 0.69 L3MBTL1 (0.57) L3MBTL1TDP1IAPPLMNAALDH1A1
SCHEMBL1828724 0.67 CYP1A2 (0.37) TDP1PARP1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 — — CN disclosed
CN-104955332-A Method for controlling arthropod pest SUMITOMO CHEMICAL CO 2015-09-30 — — CN disclosed
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