SCHEMBL6772832

SCHEMBL6772832

CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR7 Q9NYK1 4/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
BRD4 O60885 1/20 0.39
TLR8 Q9NR97 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL6768615 0.92 TLR7 (0.39) TP53TLR7HDAC3HDAC1TLR8
SCHEMBL6779395 0.91 TLR7 (0.46) TP53MEN1KMT2ATLR7HDAC3
SCHEMBL6772889 0.91 SMN1; SMN2 (0.48) GAAHTTMEN1KMT2AHDAC3
SCHEMBL6772805 0.89 TRPV1 (0.44) TLR7HDAC3HDAC1BRD4TLR8
SCHEMBL6778818 0.88 HDAC3 (0.47) TP53MEN1KMT2ATLR7HDAC3
SCHEMBL6774328 0.87 BRD4 (0.41) TP53MEN1KMT2ATLR7BRD4
SCHEMBL6774215 0.86 TLR8 (0.54) TP53MEN1KMT2ATLR7HDAC3
SCHEMBL6096076 0.85 TLR7 (0.45) GAATLR7TLR8
SCHEMBL6778546 0.85 ALDH1A1 (0.45) TP53TLR7HDAC3HDAC1TLR8
SCHEMBL6771963 0.85 MAPT (0.46) TP53GAAHTTMEN1KMT2A

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
US-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed