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SCHEMBL5046843

SCHEMBL5046843

CCc1ccc(-c2cc3cc(C=O)ccc3n2C(=O)OC(C)(C)C)c2c1CNC2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 17/20 0.41
▸ BRD4 O60885 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ NR1H3 Q13133 4/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ ATRIP Q8WXE1 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
SCHEMBL3048395 0.87 NR1H2 (0.37) NR1H2BRD4CREBBPNR1H3CA12
SCHEMBL3044207 0.78 NR1H2 (0.38) NR1H2BRD4CREBBPNR1H3CA12
SCHEMBL3041655 0.77 NR1H2 (0.38) NR1H2BRD4CREBBPNR1H3CA12
SCHEMBL3043890 0.76 BRD4 (0.38) NR1H2BRD4CREBBPNR1H3CA12
SCHEMBL5049585 0.76 NR1H2 (0.41) NR1H2BRD4CREBBPNR1H3CA12
SCHEMBL5046874 0.75 CCNB2 (0.41) NR1H2BRD4CREBBPNR1H3ATR
SCHEMBL5133554 0.75 NR1H2 (0.41) NR1H2BRD4CREBBPNR1H3CA12
SCHEMBL3046139 0.74 NR1H2 (0.42) NR1H2BRD4CREBBPNR1H3CA12
SCHEMBL3046227 0.74 NR1H2 (0.38) NR1H2BRD4CREBBPNR1H3CA12
SCHEMBL3050289 0.74 BRD4 (0.38) NR1H2BRD4CREBBPNR1H3CA12

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
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 — — EP disclosed