SCHEMBL6778259

SCHEMBL6778259

Cc1nc(N)c2nc(C)n(CCNS(=O)(=O)c3cccc(C#N)c3)c2c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 4/20 0.39
PKM P14618 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GLO1 Q04760 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
SGK1 O00141 2/20 0.38
BRD1 O95696 1/20 0.38
BRPF1 P55201 1/20 0.38
MAPT P10636 2/20 0.36
SCN9A Q15858 1/20 0.36
KLKB1 P03952 1/20 0.36
TRIM24 O15164 1/20 0.36
S1PR1 P21453 1/20 0.35
USP2 O75604 2/20 0.35
CASP1 P29466 2/20 0.35
MEN1 O00255 1/20 0.35
ESR1 P03372 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
SCHEMBL6779845 0.95 KDM4E (0.38) KDM4ERXFP1KMT2APKML3MBTL1
SCHEMBL6783573 0.89 CYP19A1 (0.39) KMT2ABRPF1USP2CASP1MEN1
SCHEMBL6779292 0.86 ALDH1A1 (0.42) KMT2AMAPTUSP2CASP1MEN1
SCHEMBL6773797 0.85 KMT2A (0.43) KDM4EKMT2APKML3MBTL1TDP1
SCHEMBL6778211 0.83 ALDH1A1 (0.50) KMT2AMAPTUSP2CASP1MEN1
SCHEMBL6780382 0.82 TLR7 (0.44) KDM4ERXFP1GLO1SLC40A1SGK1
SCHEMBL6784710 0.80 GLO1 (0.38) KDM4ERXFP1KMT2APKML3MBTL1
SCHEMBL6779264 0.80 ALDH1A1 (0.41) KMT2ACYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL6780037 0.80 CYP3A4 (0.40) KMT2AL3MBTL1USP2CASP1MEN1
SCHEMBL6778251 0.80 MEN1 (0.43) KMT2AUSP2CASP1MEN1ESR1

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