SCHEMBL13680954

SCHEMBL13680954

CN(C)c1ccc(-c2nc(CCC=O)cs2)cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
PRMT1 Q99873 3/20 0.40
LMNA P02545 5/20 0.39
RAB9A P51151 3/20 0.39
APP P05067 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 4/20 0.36
TP53 P04637 3/20 0.36
PIM1 P11309 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL13681042 0.85 RAB9A (0.36) KDM4EGAAPRMT1LMNARAB9A
SCHEMBL13680955 0.84 GAA (0.42) KDM4EGAAPRMT1LMNARAB9A
SCHEMBL13680953 0.82 LMNA (0.41) KDM4EGAAPRMT1LMNASMN1; SMN2
SCHEMBL13680959 0.81 CYP19A1 (0.53) KDM4EGAALMNARAB9ASMN1; SMN2
SCHEMBL13681060 0.81 NPC1 (0.31) RAB9ASMN1; SMN2NPC1
SCHEMBL13681049 0.80 LMNA (0.38) KDM4EGAALMNARAB9ASMN1; SMN2
SCHEMBL13681053 0.80 RAB9A (0.37) LMNARAB9ASMN1; SMN2NPC1TP53
SCHEMBL13680952 0.79 CPT1A (0.41) KDM4ELMNASMN1; SMN2MAPTTP53
SCHEMBL13680949 0.79 HPGDS (0.43) KDM4EGAAPRMT1LMNASMN1; SMN2
SCHEMBL13681331 0.79 CHEK1 (0.41) KDM4EGAALMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed