SCHEMBL8687560

SCHEMBL8687560

CCOC(C#Cc1n[nH]c2cc(C(=O)OC)ccc12)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 2/20 0.43
▸ KIF11 P52732 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ PARP1 P09874 3/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ PKM P14618 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL24358640 0.77 MAP2K4 (0.51) MAP2K4KIF11NPC1KMT2AMEN1
SCHEMBL2671233 0.77 MAP2K4 (0.51) MAP2K4KIF11NPC1KMT2AMEN1
SCHEMBL7665062 0.77 KDM4E (0.37) KMT2AMEN1ATML3MBTL1KDM4E
SCHEMBL3603266 0.73 MAP2K4 (0.52) MAP2K4KIF11NPC1KMT2AMEN1
SCHEMBL12269661 0.72 MAP2K4 (0.42) MAP2K4KIF11NPC1KMT2AMEN1
SCHEMBL15687750 0.72 MAP2K4 (0.48) MAP2K4KIF11NPC1KMT2AMEN1
SCHEMBL15687283 0.72 MAP2K4 (0.48) MAP2K4KIF11NPC1KMT2AMEN1
SCHEMBL31750236 0.71 MAP2K4 (0.56) MAP2K4KIF11NPC1KMT2APARP1
SCHEMBL2671565 0.71 MAP2K4 (0.59) MAP2K4KIF11NPC1KMT2AMEN1
SCHEMBL30159687 0.71 MAP2K4 (0.56) MAP2K4KIF11NPC1PARP1DYRK1A

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
US-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 — — US disclosed
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