SCHEMBL21300882

SCHEMBL21300882

COC(CCCC(=O)NCc1ccc(-c2nncnn2)cc1)ON1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 5/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ HPGD P15428 2/20 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
SCHEMBL2380417 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TP53MEN1KMT2A
SCHEMBL17803853 0.79 TP53 (0.40) ALDH1A1SMN1; SMN2TP53LMNATPSAB1
SCHEMBL23519429 0.76 TP53 (0.37) ALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL29603305 0.75 TP53 (0.37) ALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL16384737 0.73 TPSAB1 (0.49) ALDH1A1MEN1KMT2AHDAC3HDAC4
SCHEMBL23879899 0.73 KMT2A (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL26036197 0.73 TPSAB1 (0.49) ALDH1A1MEN1KMT2AHDAC3HDAC4
SCHEMBL21422726 0.73 TPSAB1 (0.46) ALDH1A1MEN1KMT2AHDAC3HDAC4
SCHEMBL15326722 0.73 TP53 (0.42) ALDH1A1SMN1; SMN2TP53MEN1KMT2A
SCHEMBL21301043 0.72 MEN1 (0.48) ALDH1A1MEN1KMT2AMAPTHDAC3

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-2361098-B1 COMPOSITIONS AND METHODS FOR DELIVERING A SUBSTANCE TO A BIOLOGICAL TARGET MASSACHUSETTS GEN HOSPITAL (US) 2019-08-28 — — EP disclosed
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