SCHEMBL2986268

SCHEMBL2986268

COC(=O)c1cnc(N2CCc3[nH]c4ccc(-c5cccc(N)c5)cc4c3C2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 7/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
ALOX15 P16050 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CFTR P13569 3/20 0.40
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL2970696 0.90 BAZ2B (0.56) BAZ2BPOLBGAAALOX15KDM4E
SCHEMBL2978678 0.89 SIRT2 (0.43) BAZ2BSIRT2POLBGAAALOX15
SCHEMBL2973481 0.89 SIRT2 (0.44) BAZ2BSIRT2POLBGAAALOX15
SCHEMBL2978478 0.89 HDAC1 (0.45) BAZ2BSIRT2POLBGAA
SCHEMBL2970389 0.88 SIRT2 (0.43) BAZ2BSIRT2POLBGAAALOX15
SCHEMBL2980531 0.87 SIRT2 (0.43) BAZ2BSIRT2POLBGAAALOX15
SCHEMBL5320029 0.87 SIRT2 (0.43) BAZ2BSIRT2POLBALOX15KDM4E
SCHEMBL2980630 0.86 SIRT2 (0.42) BAZ2BSIRT2POLBGAAALOX15
SCHEMBL2975804 0.86 SIRT2 (0.42) BAZ2BSIRT2POLBGAAALOX15
SCHEMBL5374091 0.86 BAZ2B (0.53) BAZ2BSIRT2POLBALOX15KDM4E

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-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO disclosed