SCHEMBL6783573

SCHEMBL6783573

Cc1nc(N)c2nc(C)n(CCNS(=O)(=O)c3ccc(C#N)cc3)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
HSD11B1 P28845 6/20 0.39
LSS P48449 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SRC P12931 2/20 0.37
CA12 O43570 1/20 0.37
ABL1 P00519 1/20 0.37
CA2 P00918 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CA9 Q16790 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
SCHEMBL6778259 0.89 KDM4E (0.39) MEN1USP2ESR1CYP1A2CYP3A4
SCHEMBL6780037 0.88 CYP3A4 (0.40) MEN1USP2ESR1CYP1A2CYP3A4
SCHEMBL6773797 0.86 KMT2A (0.43) MEN1USP2ESR1CYP1A2CYP3A4
SCHEMBL6774446 0.85 ALDH1A1 (0.46) USP2
SCHEMBL6778251 0.85 MEN1 (0.43) HSD11B1MEN1USP2ESR1CYP1A2
SCHEMBL6778198 0.84 CA1 (0.40) CYP19A1HSD11B1MEN1USP2ESR1
SCHEMBL6780526 0.84 MEP1B (0.41) MEN1USP2ESR1CYP1A2CYP3A4
SCHEMBL6779845 0.83 KDM4E (0.38) KMT2ABRPF1
SCHEMBL6779678 0.82 NPY5R (0.40) MEN1USP2ESR1CYP1A2CYP3A4
SCHEMBL6778211 0.82 ALDH1A1 (0.50) MEN1USP2ESR1CYP1A2CYP3A4

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