SCHEMBL2663199

SCHEMBL2663199

N=N/C(=N\N)NC(=O)c1ccc(CN(C(=O)/C=C/c2ccccc2Cl)c2ccc(N3CCCCC3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CNR2 P34972 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9072822 0.83 TPH1 (0.42) MAPTSMN1; SMN2RAB9ANPC1CNR2
SCHEMBL2663176 0.80 NPC1 (0.41) MAPTSMN1; SMN2RAB9ANPC1CNR2
SCHEMBL9072933 0.79 GCGR (0.43)
SCHEMBL4092859 0.78 LMNA (0.43) LMNA
SCHEMBL4092863 0.78 LMNA (0.43) LMNA
SCHEMBL9072804 0.78 GCGR (0.42) HDAC1HDAC8HDAC6TRPM8
SCHEMBL2663331 0.77 STAT3 (0.40) HDAC1HDAC6
SCHEMBL2663383 0.76 KDM4E (0.37) MAPTSMN1; SMN2RAB9ANPC1TPH1
SCHEMBL2663329 0.71 GCGR (0.40) MAPTSMN1; SMN2RAB9AALDH1A1TRPM8
SCHEMBL2663352 0.67 STAT3 (0.54) HDAC1HDAC8HDAC6HDAC3HDAC11

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
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed