SCHEMBL7327368

SCHEMBL7327368

CCCCC(=O)NCC(=O)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.57
HDAC8 Q9BY41 1/20 0.57
LMNA P02545 3/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 1/20 0.55
FAAH O00519 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52
POLB P06746 1/20 0.52
PLOD2 O00469 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 1/20 0.51
THRB P10828 1/20 0.50
SREBF2 Q12772 1/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL23014378 0.85 PLOD2 (0.57) HDAC1HDAC8LMNAALDH1A1HDAC3
SCHEMBL552456 0.84 HDAC1 (0.63) HDAC1HDAC8LMNAHTTALDH1A1
SCHEMBL31030252 0.84 HDAC1 (0.63) HDAC1HDAC8LMNAHTTALDH1A1
SCHEMBL7327582 0.82 ALDH1A1 (0.55) HDAC1HDAC8HTTALDH1A1FAAH
SCHEMBL7433203 0.81 PLOD2 (0.51) HDAC1HDAC8LMNAHTTALDH1A1
SCHEMBL552357 0.79 HDAC1 (0.66) HDAC1HDAC8LMNAHTTALDH1A1
SCHEMBL552045 0.78 HDAC1 (0.68) HDAC1HDAC8LMNAHTTALDH1A1
SCHEMBL9440256 0.78 HDAC1 (0.68) HDAC1HDAC8LMNAHTTALDH1A1
SCHEMBL551914 0.78 HDAC1 (0.68) HDAC1HDAC8LMNAHTTALDH1A1
SCHEMBL7021562 0.78 EPHX2 (0.60) HDAC1HDAC8FAAHKMT2A

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-0369743-B1 Heterocyclic amides ZENECA LTD (GB) 1995-04-19 EP disclosed
EP-0369743-A2 Heterocyclic amides ZENECA LIMITED (GB) 1990-05-23 EP disclosed