SCHEMBL7808014

SCHEMBL7808014

NC(=O)c1cc(C(=O)NCCC(=O)NO)cc(C(=O)N(CCC(=O)NO)CCC(=O)NO)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK2 Q16620 1/20 0.50
HDAC1 Q13547 18/20 0.40
HDAC6 Q9UBN7 16/20 0.40
HDAC3 O15379 14/20 0.40
HDAC2 Q92769 14/20 0.40
HDAC4 P56524 13/20 0.40
HDAC7 Q8WUI4 13/20 0.40
HDAC10 Q969S8 13/20 0.40
HDAC11 Q96DB2 13/20 0.40
HDAC8 Q9BY41 13/20 0.40
HDAC9 Q9UKV0 13/20 0.40
HDAC5 Q9UQL6 13/20 0.40
LTA4H P09960 1/20 0.37

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
SCHEMBL3054699 0.87 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL5820138 0.85 NTRK2 (0.54) NTRK2
SCHEMBL368400 0.80 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL15904061 0.78 NTRK2 (0.71) NTRK2
SCHEMBL18249527 0.78 NTRK2 (0.55) NTRK2
SCHEMBL17454898 0.75 NTRK2 (0.51) NTRK2
SCHEMBL15106150 0.74 NTRK2 (0.50) NTRK2
SCHEMBL7067047 0.73 NTRK2 (0.56) NTRK2
SCHEMBL17688583 0.73 NTRK2 (0.56) NTRK2
SCHEMBL13376962 0.70 HDAC1 (0.45) HDAC1HDAC6HDAC3HDAC2HDAC4

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-0665582-B1 Surface treating agents and treating process for semiconductors WAKO PURE CHEM IND LTD (JP) 2001-03-14 EP claimed