SCHEMBL7548794

SCHEMBL7548794

CC(=O)Oc1ccc(Cn2ccc3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ HDAC8 Q9BY41 5/20 0.58
▸ HDAC6 Q9UBN7 4/20 0.58
▸ HDAC1 Q13547 3/20 0.58
▸ HDAC2 Q92769 3/20 0.58
▸ HDAC10 Q969S8 3/20 0.58
▸ HDAC9 Q9UKV0 2/20 0.58
▸ HTR6 P50406 1/20 0.56
▸ PLAU P00749 1/20 0.53
▸ POLB P06746 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ HDAC11 Q96DB2 2/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ NCOR2 Q9Y618 1/20 0.50
▸ MGLL Q99685 1/20 0.49
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL28941203 0.84 HDAC8 (0.53) ALDH1A1SMN1; SMN2HDAC8HDAC6HDAC1
SCHEMBL8801364 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HDAC8HDAC6HDAC1
SCHEMBL6086778 0.82 HTR6 (0.66) ALDH1A1SMN1; SMN2HDAC8HDAC6HDAC1
SCHEMBL30914586 0.82 HTR6 (0.66) ALDH1A1SMN1; SMN2HDAC8HDAC6HDAC1
SCHEMBL12472242 0.81 HDAC8 (0.70) ALDH1A1SMN1; SMN2HDAC8HDAC6HDAC1
SCHEMBL6086725 0.80 HDAC8 (0.53) ALDH1A1SMN1; SMN2HDAC8HDAC6HDAC1
Acrylamide SCHEMBL27983435 0.78 PLAU (0.54) ALDH1A1SMN1; SMN2HDAC8HDAC6HDAC1
SCHEMBL6087475 0.78 HDAC8 (0.61) ALDH1A1SMN1; SMN2HDAC8HDAC6HDAC1
SCHEMBL3496372 0.78 HDAC8 (0.69) ALDH1A1SMN1; SMN2HDAC8HDAC6HDAC1
SCHEMBL6190976 0.77 HDAC8 (0.54) HDAC8HDAC6HDAC1HDAC2HDAC10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1250542-C 2-(1H-indol-3-yl)-2-oxo-acetamides with antitumor activity NOVUSPHARMA SPA (IT) 2006-04-12 — — CN disclosed
CN-1413205-A 2- (1H-indol-3-yl) -2-oxo-acetamides with antitumor activity NOVUSPHARMA SPA (IT) 2003-04-23 — — CN disclosed
EP-1244652-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY Cell Therapeutics Europe S.R.L. (IT) 2002-10-02 — — EP disclosed
WO-2001047916-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2001-07-05 — — WO disclosed
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