SCHEMBL6155367

SCHEMBL6155367

O=C(CCCCCCn1ccc2ccccc21)NO

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.66
CCND1 P24385 4/20 0.66
HDAC1 Q13547 5/20 0.59
HDAC6 Q9UBN7 5/20 0.59
LMNA P02545 1/20 0.56
HDAC3 O15379 3/20 0.54
HDAC8 Q9BY41 3/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
MAPK1 P28482 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL6154591 1.00 CDK4 (0.66) CDK4CCND1HDAC1HDAC6LMNA
SCHEMBL1520321 0.88 LMNA (0.67) CDK4CCND1HDAC1HDAC6LMNA
SCHEMBL19783673 0.84 CDK4 (0.72) CDK4CCND1LMNAMAPK1MTNR1A
SCHEMBL30582936 0.84 CDK4 (0.72) CDK4CCND1LMNAMAPK1MTNR1A
SCHEMBL1269116 0.82 CDK4 (0.71) CDK4CCND1LMNAMAPK1MTNR1A
SCHEMBL5051883 0.81 LMNA (0.61) CDK4CCND1LMNAMAPK1MTNR1A
SCHEMBL4327022 0.78 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL29560163 0.77 CDK4 (0.68) CDK4CCND1LMNAMAPK1MTNR1A
SCHEMBL1967792 0.77 CDK4 (0.68) CDK4CCND1LMNAMAPK1MTNR1A
SCHEMBL24398975 0.77 CDK4 (0.82) CDK4CCND1LMNAMAPK1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358168-B1 TRICYCLIC LACTAM AND SULTAM DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HOFFMANN LA ROCHE (CH) 2005-08-10 EP disclosed