SCHEMBL4348358

SCHEMBL4348358

NC[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1c[nH]c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 18/20 0.45
HDAC4 P56524 18/20 0.45
HDAC1 Q13547 18/20 0.45
HDAC7 Q8WUI4 18/20 0.45
HDAC2 Q92769 18/20 0.45
HDAC10 Q969S8 18/20 0.45
HDAC11 Q96DB2 18/20 0.45
HDAC8 Q9BY41 18/20 0.45
HDAC6 Q9UBN7 18/20 0.45
HDAC9 Q9UKV0 18/20 0.45
HDAC5 Q9UQL6 18/20 0.45
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
ALOX15 P16050 1/20 0.43

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
SCHEMBL4348370 1.00 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4348278 0.86 GSK3B (0.52) HDAC1HDAC6
SCHEMBL4348275 0.86 GSK3B (0.52) HDAC1HDAC6
Hydrochloric Acid SCHEMBL4357449 0.86 AKT1 (0.46) HDAC1HDAC6ITGB2ICAM1ITGAL
Hydrochloric Acid SCHEMBL4343253 0.86 KMT2A (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL4357444 0.86 AKT1 (0.46) HDAC1HDAC6ITGB2ICAM1ITGAL
Hydrochloric Acid SCHEMBL4346899 0.86 LMNA (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL4346903 0.86 LMNA (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL4343259 0.86 KMT2A (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL4348323 0.85 GSK3B (0.51) HDAC1HDAC6

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-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP claimed
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP disclosed