SCHEMBL6779264

SCHEMBL6779264

Cc1nc(N)c2nc(C)n(CCCNS(=O)(=O)c3cccc(F)c3)c2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HTR7 P34969 6/20 0.40
DRD2 P14416 5/20 0.40
HTR6 P50406 5/20 0.40
HTR2A P28223 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
GBA1 P04062 1/20 0.37
KAT6A Q92794 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
KCNH2 Q12809 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
HTR1A P08908 2/20 0.36
SLC6A4 P31645 2/20 0.36
BRAF P15056 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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
SCHEMBL6779292 0.94 ALDH1A1 (0.42) ALDH1A1HTR7DRD2HTR6HTR2A
SCHEMBL6779845 0.86 KDM4E (0.38) KMT2APOLBTLR7
SCHEMBL6783636 0.86 TLR7 (0.39) ALDH1A1HTR7DRD2HTR6HTR2A
SCHEMBL6779818 0.86 POLB (0.48) ALDH1A1HTR7DRD2HTR6HTR2A
SCHEMBL6774423 0.83 TLR7 (0.41) ALDH1A1HTR7SMN1; SMN2KMT2ATLR7
SCHEMBL6773797 0.82 KMT2A (0.43) ALDH1A1HTR7SMN1; SMN2KMT2APOLB
SCHEMBL6778222 0.81 ALDH1A1 (0.40) ALDH1A1HTR7DRD2HTR6HTR2A
SCHEMBL6778259 0.80 KDM4E (0.39) ALDH1A1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL6777386 0.80 CCR1 (0.41) ALDH1A1HTR7DRD2HTR6HTR2A
SCHEMBL6779812 0.80 SCN1A (0.48) ALDH1A1HTR7DRD2HTR6HTR2A

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