SCHEMBL4060259

SCHEMBL4060259

NC(=O)c1ccc(CN2CCSCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC4 P56524 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL27789125 0.86 KDM4E (0.61) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL15763177 0.85 KDM4E (0.59) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL2907506 0.84 HDAC1 (0.65) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL2912150 0.83 HRH3 (0.64) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL30577945 0.81 MEN1 (0.57) KDM4EALDH1A1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL27587927 0.81 HRH3 (0.62) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3920368 0.80 SIGMAR1 (0.56) GAAMEN1KMT2AHDAC1
SCHEMBL2912823 0.80 HPGD (0.64) KDM4EALDH1A1KMT2A
SCHEMBL18173307 0.80 MEN1 (0.62) GAAMEN1KMT2AHDAC1HDAC8
SCHEMBL2776747 0.80 ALDH1A1 (0.59) ALDH1A1POLBGAAMEN1KMT2A

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
WO-2009034390-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2009-03-19 WO disclosed