SCHEMBL6772471

SCHEMBL6772471

Cc1nc(N)c2nc(C)n(CCCNC(=O)CCc3ccccc3)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TLR7 Q9NYK1 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL6778680 0.94 HPGD (0.43) HPGDLMNAKDM4EGAAKMT2A
SCHEMBL6774292 0.90 ALDH1A1 (0.47) HPGDGAAKMT2AMEN1TLR7
SCHEMBL6774879 0.86 TLR7 (0.48) HPGDLMNAKDM4EGAATLR7
SCHEMBL6776668 0.85 SMN1; SMN2 (0.44) HPGDLMNAKDM4EGAAKMT2A
SCHEMBL6773093 0.84 KMT2A (0.51) HPGDGAAKMT2AMEN1TLR7
SCHEMBL6773502 0.83 TLR7 (0.37) KMT2ATLR7SMN1; SMN2
SCHEMBL6772950 0.82 FAAH (0.53) HPGDLMNAKDM4EGAASMN1; SMN2
SCHEMBL6774160 0.81 HPGD (0.47) HPGDLMNAKDM4EGAAL3MBTL1
SCHEMBL8120767 0.81 TLR7 (0.52) LMNAKMT2AMEN1TLR7
SCHEMBL6284024 0.80 DRD2 (0.39) TLR7

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