SCHEMBL12933423

SCHEMBL12933423

CC(C)(C)NCCn1cnc2ccccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ LMNA P02545 4/20 0.52
▸ CYP3A4 P08684 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ TP53 P04637 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MAPT P10636 1/20 0.50

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
SCHEMBL12963436 0.84 LMNA (0.55) POLBKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL9689671 0.84 SMN1; SMN2 (0.56) POLBKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL19049515 0.79 LMNA (0.61) POLBKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL18026639 0.78 SMN1; SMN2 (0.58) POLBKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL28069319 0.77 CYP1A2 (0.64) POLBKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL874574 0.76 CYP1A2 (0.59) POLBKMT2ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL30089425 0.76 CYP1A2 (0.59) POLBKMT2ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL875704 0.76 SMN1; SMN2 (0.60) POLBKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL30089495 0.76 SMN1; SMN2 (0.60) POLBKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL28866778 0.76 CYP2C9 (0.59) POLBKMT2AMEN1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 — — US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 — — US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 — — US disclosed
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