SCHEMBL7986037

SCHEMBL7986037

O=C(CN1CCC(CNC(=O)C2=Cc3cnc4cccc(n34)S2)CC1)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.42
MDM2 Q00987 1/20 0.42
USP2 O75604 1/20 0.41
HDAC3 O15379 4/20 0.39
HDAC4 P56524 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC10 Q969S8 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC9 Q9UKV0 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39

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
Hydrochloric Acid SCHEMBL7985541 0.99 HTT (0.46) HTTGAALMNASMN1; SMN2ALDH1A1
SCHEMBL7983020 0.89 GSK3B (0.47) HTTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL7983124 0.89 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL7989390 0.88 GSK3B (0.46) HTTLMNASMN1; SMN2ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL7983228 0.88 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7981833 0.87 HTR4 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL7986403 0.86 HTR4 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7982426 0.86 LTA4H (0.47) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7989635 0.85 LTA4H (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL7971795 0.85 LTA4H (0.47) ALDH1A1HDAC3HDAC4HDAC1HDAC7

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
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed