SCHEMBL12963436

SCHEMBL12963436

CCNCCn1cnc2ccccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ POLB P06746 5/20 0.54
▸ TP53 P04637 2/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ CYP3A4 P08684 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ TDP1 Q9NUW8 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
SCHEMBL9689671 0.85 SMN1; SMN2 (0.56) LMNARAB9APOLBTP53SMN1; SMN2
SCHEMBL12933423 0.84 POLB (0.53) LMNARAB9APOLBTP53SMN1; SMN2
SCHEMBL19049515 0.83 LMNA (0.61) LMNARAB9APOLBTP53SMN1; SMN2
SCHEMBL28069319 0.81 CYP1A2 (0.64) LMNARAB9APOLBSMN1; SMN2CYP1A2
SCHEMBL179074 0.80 SMN1; SMN2 (0.63) LMNARAB9APOLBTP53SMN1; SMN2
SCHEMBL31123005 0.80 SMN1; SMN2 (0.63) LMNARAB9APOLBTP53SMN1; SMN2
SCHEMBL720666 0.79 POLB (0.66) LMNARAB9APOLBSMN1; SMN2CYP1A2
SCHEMBL24863183 0.79 TDP1 (0.66) LMNARAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL874574 0.77 CYP1A2 (0.59) LMNARAB9APOLBSMN1; SMN2CYP1A2
SCHEMBL30089425 0.77 CYP1A2 (0.59) LMNARAB9APOLBSMN1; 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 3 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
Send feedback