SCHEMBL6773353

SCHEMBL6773353

C[S+]([O-])c1cccc2[nH]c(=O)[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ DRD2 P14416 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ ADRB2 P07550 3/20 0.35
▸ ADRB1 P08588 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ BRAF P15056 6/20 0.34

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
SCHEMBL6766820 0.75 GRIN2D (0.40) KDM4ECA12PARP1CA9DRD2
SCHEMBL763349 0.72 GRIA1 (0.52) KDM4ECA12PARP1CA9CYP1A2
SCHEMBL22928150 0.70 KIF11 (0.53) KDM4ECA12PARP1CA9DRD2
SCHEMBL11385706 0.69 KDM4E (0.43) KDM4ECA12PARP1CA9DRD2
SCHEMBL5379137 0.68 DAO (0.46) KDM4ECA12PARP1CA9DRD2
SCHEMBL765025 0.67 KDM4E (0.42) KDM4ECA12PARP1CA9DRD2
SCHEMBL1016001 0.67 CA12 (0.47) KDM4ECA12PARP1CA9DRD2
SCHEMBL22619216 0.67 KDM4E (0.42) KDM4ECA12PARP1CA9DRD2
SCHEMBL2483323 0.67 POLB (0.52) KDM4ECA12PARP1CA9DRD2
SCHEMBL6367421 0.67 KDM4E (0.42) KDM4ECA12PARP1CA9DRD2

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
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 — — US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 — — EP disclosed
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