SCHEMBL6773797

SCHEMBL6773797

Cc1nc(N)c2nc(C)n(CCNS(=O)(=O)c3ccccc3)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
USP2 O75604 1/20 0.43
ESR1 P03372 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TLR7 Q9NYK1 3/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL6778251 0.94 MEN1 (0.43) KMT2AMEN1USP2ESR1CYP1A2
SCHEMBL6780037 0.90 CYP3A4 (0.40) KMT2AMEN1USP2ESR1CYP1A2
SCHEMBL6778211 0.89 ALDH1A1 (0.50) KMT2AMEN1USP2ESR1CYP1A2
SCHEMBL6780526 0.89 MEP1B (0.41) KMT2AMEN1USP2ESR1CYP1A2
SCHEMBL6774423 0.88 TLR7 (0.41) KMT2AMEN1USP2ESR1CYP1A2
SCHEMBL6779292 0.88 ALDH1A1 (0.42) KMT2AMEN1USP2ESR1CYP1A2
SCHEMBL6774446 0.87 ALDH1A1 (0.46) USP2ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL6778198 0.86 CA1 (0.40) KMT2AMEN1USP2ESR1CYP1A2
SCHEMBL6783573 0.86 CYP19A1 (0.39) KMT2AMEN1USP2ESR1CYP1A2
SCHEMBL6777660 0.86 CA12 (0.42) CYP2C9ALDH1A1LMNATDP1

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