SCHEMBL6774583

SCHEMBL6774583

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)Cc2cccs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
ESR2 Q92731 1/20 0.40
TLR7 Q9NYK1 6/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TLR8 Q9NR97 5/20 0.37
NUDT1 P36639 1/20 0.37
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL6768386 0.88 TLR7 (0.42) ALDH1A1TLR7TLR8NUDT1
SCHEMBL6773457 0.83 L3MBTL1 (0.42) MEN1KMT2AALDH1A1POLBTLR7
SCHEMBL6897348 0.83 ALDH1A1 (0.46) ALDH1A1TLR7TLR8NUDT1
SCHEMBL6773368 0.83 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL6773193 0.82 GNAI3 (0.39) TLR7TLR8NUDT1
SCHEMBL6773840 0.81 TLR7 (0.37) ALDH1A1TLR7TLR8NUDT1
SCHEMBL6777299 0.81 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNATLR7
SCHEMBL6288804 0.81 TLR7 (0.41) ALDH1A1RECQLTLR7HPGDTLR8
SCHEMBL6093363 0.81 TLR7 (0.36) TLR7TLR8NUDT1
SCHEMBL6279887 0.80 TLR7 (0.41) TLR7TLR8NUDT1

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