SCHEMBL6665160

SCHEMBL6665160

COc1ccccc1NC(=O)CCC1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.63
▸ ALDH1A1 P00352 3/20 0.56
▸ POLB P06746 1/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ HTT P42858 1/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ HSD17B10 Q99714 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51

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
SCHEMBL6668373 0.82 TDP1 (0.59) TDP1ALDH1A1POLBNPSR1HTT
SCHEMBL6664326 0.80 MAPT (0.60) TDP1ALDH1A1POLBHDAC3HDAC1
SCHEMBL6667511 0.80 CHRM3 (0.67) HDAC1HDAC2L3MBTL1KMT2A
SCHEMBL6679940 0.78 TDP1 (0.60) TDP1ALDH1A1POLBNPSR1HTT
SCHEMBL29361009 0.78 SMN1; SMN2 (0.74) ALDH1A1NPSR1HSD17B10HPGDSMN1; SMN2
SCHEMBL8132848 0.78 SMN1; SMN2 (0.74) ALDH1A1NPSR1HSD17B10HPGDSMN1; SMN2
SCHEMBL13233264 0.77 ALDH1A1 (0.67) ALDH1A1POLBNPSR1HTTHDAC3
SCHEMBL6668796 0.76 CHRM3 (0.68) L3MBTL1SMN1; SMN2KMT2A
SCHEMBL23080145 0.75 ALDH1A1 (0.72) ALDH1A1POLBNPSR1HTTHDAC3
SCHEMBL5183678 0.75 ALDH1A1 (0.72) ALDH1A1POLBNPSR1HTTHDAC3

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-2004014425-A1 ACTIVATORS OF SMALL CONDUCTANCE CALCIUM ACTIVATED POTASSIUM CHANNELS AND USE THEREOF GLAXO GROUP LIMITED (GB) 2004-02-19 — — WO disclosed
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