SCHEMBL5159216

SCHEMBL5159216

C=C(CN1CCc2ccccc2C1)c1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
KDM4E B2RXH2 3/20 0.67
NOD1 Q9Y239 10/20 0.64
TNF P01375 8/20 0.64
NOD2 Q9HC29 8/20 0.64
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
RAB9A P51151 4/20 0.62
LMNA P02545 1/20 0.62
ABCB1 P08183 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.60
NPC1 O15118 3/20 0.59
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.56

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
SCHEMBL5159210 0.96 SMN1; SMN2 (0.72) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL5162557 0.85 MEN1 (0.58) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL4897800 0.83 HDAC1 (0.57) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL16085403 0.81 SMN1; SMN2 (1.00) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL16263700 0.80 SMN1; SMN2 (0.89) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL3698767 0.76 RAB9A (0.79) SMN1; SMN2KDM4EMEN1KMT2ARAB9A
SCHEMBL7314186 0.75 KDM4E (0.76) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL16085545 0.75 SMN1; SMN2 (0.79) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL16062262 0.75 NOD1 (0.80) SMN1; SMN2KDM4ENOD1TNFNOD2
SCHEMBL3478431 0.73 ALDH1A1 (0.59) KDM4EMEN1KMT2AALDH1A1MAPT

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
EP-1758847-A1 INHIBITORS OF HISTONE DEACETYLASE Cancer Research Technology Limited (GB) 2007-03-07 EP claimed
WO-2005121073-A1 INHIBITORS OF HISTONE DEACETYLASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-12-22 WO claimed
EP-1758847-A1 INHIBITORS OF HISTONE DEACETYLASE Cancer Research Technology Limited (GB) 2007-03-07 EP disclosed
WO-2005121073-A1 INHIBITORS OF HISTONE DEACETYLASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-12-22 WO disclosed