SCHEMBL20330624

SCHEMBL20330624

CC1CC(=O)N(CCNC(=O)CCN)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL16309339 0.84 MTNR1A (0.46) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL22688050 0.84 FOLH1 (0.36) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL20330623 0.83 ALDH1A1 (0.34) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL18471059 0.83 HDAC6 (0.34) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL22223342 0.83 SMN1; SMN2 (0.44) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL22223343 0.83 SMN1; SMN2 (0.44) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL12590064 0.82 HTT (0.37) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL23642757 0.82 ALDH1A1 (0.38) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL12972203 0.82 ALDH1A1 (0.38) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL15759386 0.82 ALDH1A1 (0.38) HPGDHTTSMN1; SMN2HDAC3HDAC4

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-2018119196-A1 IMMUNOCONJUGATES TARGETING ADAM9 AND METHODS OF USE THEREOF IMMUNOGEN, INC. (US) 2018-06-28 — — WO disclosed
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