SCHEMBL18203015

SCHEMBL18203015

CC(C)Oc1ccc(C(C)(F)F)cc1-c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 6/20 0.40
▸ CACNG8 Q8WXS5 6/20 0.40
▸ ABCB11 O95342 1/20 0.39
▸ MET P08581 1/20 0.37
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ TERT O14746 1/20 0.35
▸ SCN9A Q15858 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33

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
SCHEMBL18190747 0.92 ABCB11 (0.44) GRIA1CACNG8ABCB11METPDE3B
SCHEMBL18190578 0.80 TP53 (0.46) GRIA1CACNG8PDE3BPDE3ASCN9A
SCHEMBL18190773 0.78 ABL1 (0.48) GRIA1CACNG8PDE3BPDE3AABL1
SCHEMBL18190482 0.72 GRIA1 (0.53) GRIA1CACNG8PDE3BPDE3AABL1
SCHEMBL18190566 0.71 GRIA1 (0.59) GRIA1CACNG8PDE3BPDE3ATERT
SCHEMBL18190734 0.71 GRIA1 (0.69) GRIA1CACNG8
SCHEMBL18190613 0.71 GRIA1 (0.53) GRIA1CACNG8PDE3BPDE3ADYRK1A
SCHEMBL18190548 0.69 GRIA1 (0.53) GRIA1CACNG8PDE3BPDE3ADYRK1A
SCHEMBL18190607 0.69 PRMT5 (0.47) GRIA1CACNG8PDE3BPDE3AABL1
SCHEMBL18190714 0.68 GRIA1 (0.50) GRIA1CACNG8METPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016176449-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 — — WO disclosed
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