SCHEMBL6775246

SCHEMBL6775246

CCCCC(=O)NCCCCn1cnc2c(N)nc(C)c(C)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.41
HDAC2 Q92769 6/20 0.41
ADCY5 O95622 3/20 0.40
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
ADORA2A P29274 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35

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
SCHEMBL6773196 0.89 ALDH1A1 (0.39) HDAC1HDAC2KMT2AALDH1A1TDP1
SCHEMBL6098139 0.86 DYRK1A (0.37) ADCY5ALDH1A1TDP1CSNK2A2CSNK2A1
SCHEMBL6774160 0.85 HPGD (0.47) HDAC1HDAC2KMT2AHDAC8HDAC6
SCHEMBL6773010 0.83 ALDH1A1 (0.43) KMT2AALDH1A1ADORA2A
SCHEMBL6778549 0.82 KDM4E (0.38) ALDH1A1
SCHEMBL6778820 0.82 QPCT (0.38) KMT2AALDH1A1TDP1
SCHEMBL6784160 0.81 EPHX1 (0.38) ADCY5KMT2AALDH1A1TDP1ADORA2A
SCHEMBL6775784 0.81 DRD2 (0.37) ADCY5ALDH1A1TDP1
SCHEMBL6768483 0.80 DRD3 (0.44) HDAC1HDAC2KMT2AALDH1A1HDAC3
SCHEMBL6778610 0.80 ALDH1A1 (0.38) KMT2AALDH1A1TDP1ADORA2A

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
CN-100387597-C Amido-substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2008-05-14 CN claimed
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