SCHEMBL6941758

SCHEMBL6941758

O=C(O)CCCNNc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL27464764 0.88 CA12 (0.50) SMN1; SMN2L3MBTL1ALOX5CA12CA1
SCHEMBL2177141 0.80 ALDH1A1 (0.64) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL11507917 0.79 ALDH1A1 (0.52) MAPK1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL27591545 0.78 ALDH1A1 (0.61) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL27609848 0.78 ALDH1A1 (0.61) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL11771600 0.78 KCNH3 (0.47) SMN1; SMN2HTTLMNAALOX5CA12
SCHEMBL27615317 0.76 HSP90AA1 (0.46) MAPK1HTTL3MBTL1GAAALDH1A1
SCHEMBL19720271 0.76 L3MBTL1 (0.47) SMN1; SMN2LMNAL3MBTL1ALOX5MAPT
SCHEMBL7995452 0.75 ABAT (0.50) SMN1; SMN2ALOX5MAPTGAAALDH1A1
SCHEMBL6130488 0.74 MAPT (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO disclosed