SCHEMBL5600577

SCHEMBL5600577

NC(=O)Oc1nc(CC(=O)Nc2ccccc2N)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HDAC3 O15379 4/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 2/20 0.44
NCOR2 Q9Y618 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43

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
SCHEMBL3597144 0.78 SMN1; SMN2 (0.57) GAAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8246351 0.71 GAA (0.49) GAAMAPTSMN1; SMN2KDM4EHDAC3
SCHEMBL8245740 0.71 HDAC3 (0.49) GAAMAPTSMN1; SMN2KDM4EHDAC3
SCHEMBL3607234 0.70 HDAC3 (0.45) GAAMAPTSMN1; SMN2KDM4EHDAC3
SCHEMBL28366435 0.70 GABRA5 (0.36) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL8247957 0.70 GAA (0.48) GAAMAPTSMN1; SMN2KDM4EHDAC3
SCHEMBL11282184 0.69 KMT2A (0.57) GAAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL3608603 0.69 HDAC3 (0.42) GAAMAPTSMN1; SMN2KDM4EHDAC3
SCHEMBL23522646 0.68 HDAC3 (0.46) MAPTKDM4EHDAC3HDAC1HDAC2
SCHEMBL25248640 0.68 HDAC3 (0.72) HDAC3HDAC1HDAC2NCOR2HDAC4

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
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO claimed
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO disclosed