SCHEMBL8445590

SCHEMBL8445590

CC(=O)c1cc(NC(=O)CCCCCCCCCCC(N)=O)cc(C(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FURIN P09958 6/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
F10 P00742 1/20 0.52
PARP1 P09874 1/20 0.50
PARP10 Q53GL7 1/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL8446705 1.00 FURIN (0.56) FURINMEN1KMT2AF10PARP1
SCHEMBL6149232 1.00 FURIN (0.56) FURINMEN1KMT2AF10PARP1
SCHEMBL5442050 1.00 FURIN (0.56) FURINMEN1KMT2AF10PARP1
SCHEMBL5973917 1.00 FURIN (0.56) FURINMEN1KMT2AF10PARP1
SCHEMBL5973945 0.98 FURIN (0.56) FURINMEN1KMT2AF10PARP1
SCHEMBL6150719 0.95 FURIN (0.56) FURINMEN1KMT2AF10PARP1
SCHEMBL5973841 0.93 FURIN (0.55) FURINMEN1KMT2AF10PARP1
SCHEMBL5974478 0.93 FURIN (0.55) FURINMEN1KMT2AF10PARP1
SCHEMBL4914693 0.93 FURIN (0.55) FURINMEN1KMT2AF10PARP1
SCHEMBL5974904 0.93 FURIN (0.55) FURINMEN1KMT2AF10PARP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746312-A4 GUANYLHYDRAZONES FOR TREATING INFLAMMATORY CONDITIONS PICOWER INST MED RES (US) 1999-05-26 EP disclosed
EP-0746312-A1 GUANYLHYDRAZONES FOR TREATING INFLAMMATORY CONDITIONS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1996-12-11 EP disclosed
WO-1995019767-A1 GUANYLHYDRAZONES FOR TREATING INFLAMMATORY CONDITIONS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1995-07-27 WO disclosed