SCHEMBL9212256

SCHEMBL9212256

CCOC(=O)NNCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
NCOR2 Q9Y618 1/20 0.58
GAA P10253 4/20 0.57
KMT2A Q03164 2/20 0.50
GLA P06280 1/20 0.50
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 5/20 0.47

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
SCHEMBL10436016 0.85 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL158220 0.83 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7434407 0.83 GAA (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27804343 0.82 CA12 (0.55) HDAC3GAAKDM4EMAPTSMN1; SMN2
SCHEMBL8703043 0.81 LMNA (0.51) GAASMN1; SMN2LMNA
SCHEMBL2918702 0.80 GAA (0.64) GAAKMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL7328495 0.79 CTSK (0.50) HDAC3HDAC1HDAC2NCOR2GAA
SCHEMBL7769202 0.79 NPC1 (0.50) GAAMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL7345362 0.79 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC11HDAC8
SCHEMBL3824791 0.78 HDAC3 (0.62) HDAC3HDAC2HDAC8HDAC6HPGD

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
EP-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 EP disclosed