SCHEMBL7964816

SCHEMBL7964816

CC(=O)Nc1cc(N=O)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.55
▸ HDAC2 Q92769 5/20 0.55
▸ HDAC3 O15379 4/20 0.55
▸ NPC1 O15118 3/20 0.41
▸ MAPT P10636 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.38
▸ NEU3 Q9UQ49 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11207191 0.80 HDAC1 (0.60) HDAC1HDAC2HDAC3NPC1MAPT
SCHEMBL30832967 0.80 HDAC1 (0.60) HDAC1HDAC2HDAC3NPC1MAPT
SCHEMBL12845563 0.79 HDAC1 (0.44) HDAC1NPC1MAPTRAB9APOLB
SCHEMBL8110762 0.78 HDAC2 (0.83) HDAC1HDAC2HDAC3NPC1MAPT
SCHEMBL1708819 0.78 HDAC1 (0.62) HDAC1HDAC2HDAC3NPC1MAPT
SCHEMBL28177918 0.78 PRKCI (0.38) HDAC1HDAC2HDAC3NPC1MAPT
SCHEMBL2610988 0.77 MAPT (0.62) HDAC1NPC1MAPTRAB9APOLB
SCHEMBL10372226 0.77 HDAC1 (0.60) HDAC1HDAC2HDAC3NPC1MAPT
SCHEMBL11512570 0.77 HDAC1 (0.60) HDAC1HDAC2HDAC3NPC1MAPT
SCHEMBL11678263 0.76 HDAC1 (0.46) HDAC1HDAC2HDAC3NPC1MAPT

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-2010017272-A2 METHOD OF TREATING NEUROLOGICAL DISEASES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-02-11 — — WO disclosed
Send feedback