SCHEMBL6774423

SCHEMBL6774423

Cc1nc(N)c2nc(C)n(CCCNS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MMP1 P03956 2/20 0.39
MMP12 P39900 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
MBTD1 Q05BQ5 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL6778251 0.94 MEN1 (0.43) TLR7HDAC1HDAC2MMP1MMP12
SCHEMBL6773797 0.88 KMT2A (0.43) TLR7GAALMNASMN1; SMN2L3MBTL1
SCHEMBL6779818 0.87 POLB (0.48) GAALMNASMN1; SMN2ALDH1A1HTR1A
SCHEMBL6780460 0.86 TLR7 (0.44) TLR7HDAC1HDAC2GAALMNA
SCHEMBL6777386 0.84 CCR1 (0.41) L3MBTL1ALDH1A1PKMHTR1AHTR7
SCHEMBL6779264 0.83 ALDH1A1 (0.41) TLR7SMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6780037 0.83 CYP3A4 (0.40) TLR7TP53THRBMBTD1L3MBTL1
SCHEMBL6779812 0.82 SCN1A (0.48) TLR7ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL6780526 0.81 MEP1B (0.41) TLR7TSHRALDH1A1MEN1USP2
SCHEMBL6778211 0.81 ALDH1A1 (0.50) GAALMNASMN1; SMN2THRBALDH1A1

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-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed