SCHEMBL10634612

SCHEMBL10634612

N#CNC(=O)CCCCCCCCC(=O)NC#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
HSP90AA1 P07900 1/20 0.39
FAAH O00519 4/20 0.38
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL615687 0.97 HDAC1 (0.43) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL10631623 0.92 KDM4E (0.39) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL3295680 0.89 HSP90AA1 (0.57) HSP90AA1FAAHHDAC11MEN1KMT2A
SCHEMBL3298623 0.89 HSP90AA1 (0.57) HSP90AA1FAAHHDAC11MEN1KMT2A
SCHEMBL3295824 0.89 HSP90AA1 (0.57) HSP90AA1FAAHHDAC11MEN1KMT2A
Stearoylcyanamide SCHEMBL3297220 0.89 HSP90AA1 (0.57) HSP90AA1FAAHHDAC11MEN1KMT2A
SCHEMBL3294110 0.89 HSP90AA1 (0.57) HSP90AA1FAAHHDAC11MEN1KMT2A
SCHEMBL3295093 0.89 HSP90AA1 (0.57) HSP90AA1FAAHHDAC11MEN1KMT2A
Palmitoyalcyanamide SCHEMBL3296666 0.89 HSP90AA1 (0.57) HSP90AA1FAAHHDAC11MEN1KMT2A
SCHEMBL3297352 0.89 HSP90AA1 (0.57) HSP90AA1FAAHHDAC11MEN1KMT2A

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
US-4721770-A MOLDING MATERIALS CIBA-GEIGY CORPORATION (US) 1988-01-26 US disclosed
US-4618712-A HARDENER FOR EPOXIDE RESINS CIBA-GEIGY CORPORATION (US) 1986-10-21 US disclosed