SCHEMBL6784033

SCHEMBL6784033

CCOCc1nc2c(N)nc(C)cc2n1CCCCNS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.46
HTR6 P50406 3/20 0.45
POLB P06746 1/20 0.45
QPCT Q16769 1/20 0.45
ALOX15 P16050 2/20 0.43
TSHR P16473 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
PPARG P37231 1/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
LDHA P00338 1/20 0.39

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
SCHEMBL6779163 0.89 SCN1A (0.44) HTR7HTR6HTR1AHTR2AALDH1A1
SCHEMBL6774083 0.83 TLR7 (0.40)
SCHEMBL4791305 0.82 POLB (0.49) HTR7HTR6POLBQPCTALOX15
SCHEMBL6778344 0.82 TLR7 (0.36) ALDH1A1
SCHEMBL6773764 0.82 TLR7 (0.38) HTR7HTR6POLBHTR1AHTR2A
SCHEMBL6285069 0.82 TLR7 (0.48)
SCHEMBL6784556 0.82 TLR7 (0.40) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL6780360 0.81 ALDH1A1 (0.39) HTR7HTR6TSHRHTR2AKMT2A
SCHEMBL6779139 0.81 TLR7 (0.44) ALDH1A1
SCHEMBL6780506 0.80 ALDH1A1 (0.46) HTR7POLBHTR1AHTR2AKMT2A

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