SCHEMBL21535345

SCHEMBL21535345

CN1c2ccc(-c3cncc(CNS(=O)(=O)c4cnn(C)c4)c3)cc2CCC1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.39
▸ PDK1 Q15118 5/20 0.38
▸ PDK2 Q15119 5/20 0.38
▸ PDK3 Q15120 5/20 0.38
▸ PDK4 Q16654 5/20 0.38
▸ SLC6A9 P48067 1/20 0.38
▸ SLC8A1 P32418 1/20 0.37
▸ CYP11B2 P19099 7/20 0.36
▸ CYP11B1 P15538 6/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL31260097 0.83 CYP11B1 (0.55) CYP11B2CYP11B1
SCHEMBL14789911 0.83 CYP11B1 (0.55) CYP11B2CYP11B1
SCHEMBL22005290 0.76 CYP11B2 (0.51) CYP11B2CYP11B1
SCHEMBL21535354 0.76 PDK1 (0.46) PDK1PDK2PDK3PDK4CYP11B2
SCHEMBL21535156 0.72 CYP11B2 (0.40) CYP11B2CYP11B1
SCHEMBL22004587 0.72 CYP11B2 (0.41) CYP11B2CYP11B1
SCHEMBL22004705 0.72 CYP11B2 (0.46) CYP11B2CYP11B1
SCHEMBL21535304 0.71 CYP11B2 (0.51) CYP11B2CYP11B1
SCHEMBL22004749 0.71 CYP11B2 (0.39) CYP11B2CYP11B1
SCHEMBL22004689 0.70 CYP11B1 (0.42) CYP11B2CYP11B1

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-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 — — EP disclosed
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