SCHEMBL6773010

SCHEMBL6773010

Cc1nc(N)c2ncn(CCCCNC(=O)Cc3ccccc3)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TRPV1 Q8NER1 5/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.40
NAMPT P43490 1/20 0.40
TMIGD3 P0DMS9 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
KCNH2 Q12809 2/20 0.38
ADORA2B P29275 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
SCHEMBL6774160 0.90 HPGD (0.47) GAAHPGDMEN1KMT2ATMIGD3
SCHEMBL6774520 0.88 TP53 (0.37) ALDH1A1MAPTTMIGD3ADORA2AADORA1
SCHEMBL6768483 0.86 DRD3 (0.44) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL5746744 0.85 TLR7 (0.51) ALDH1A1TRPV1GAAHPGDATM
SCHEMBL6773389 0.85 HPGD (0.43) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL6777509 0.84 FAAH (0.47) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL6778367 0.83 LMNA (0.44) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL6098139 0.83 DYRK1A (0.37) ALDH1A1
SCHEMBL6775246 0.83 HDAC1 (0.41) ALDH1A1KMT2AADORA2A
SCHEMBL6778477 0.82 QPCT (0.44) GAAKMT2A

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