SCHEMBL22051948

SCHEMBL22051948

CN(C)C(=O)c1cc([S+]([O-])N2CCCC2)cn1CC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 11/20 0.38
▸ SLC6A7 Q99884 1/20 0.37
▸ GRIN1 Q05586 3/20 0.37
▸ POLB P06746 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.35
▸ SLC13A5 Q86YT5 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ PLG P00747 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ PLAT P00750 1/20 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
SCHEMBL22051947 0.88 PLAU (0.40) GRIN2BSLC6A7GRIN1POLBHTT
SCHEMBL22051362 0.81 TP53 (0.46) GRIN2BPOLBALDH1A1KMT2AMEN1
SCHEMBL22051934 0.73 S1PR5 (0.39) SLC6A7KMT2AS1PR5
SCHEMBL22051950 0.72 IGF1R (0.37) GRIN2BGRIN1S1PR5OPRK1
SCHEMBL22051360 0.71 GRIN2B (0.36) GRIN2BGRIN1POLBHTTALDH1A1
SCHEMBL22050501 0.71 TP53 (0.49) GRIN2BSLC6A7POLBALDH1A1KMT2A
SCHEMBL22051968 0.70 TP53 (0.47) GRIN2BSLC6A7POLBHTTALDH1A1
SCHEMBL22051970 0.69 KIF11 (0.40) GRIN2BSLC6A7GRIN1KMT2AMEN1
SCHEMBL22050847 0.69 TP53 (0.46) POLBALDH1A1KMT2AMEN1PLG
SCHEMBL22050494 0.69 TRIM24 (0.41) GRIN2B

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-2020111252-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF 国立大学法人九州大学 2020-06-04 — — WO disclosed
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