SCHEMBL6780099

SCHEMBL6780099

Cc1nc(N)c2nc(C)n(CCNS(=O)(=O)c3ccc(Cl)s3)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
HTT P42858 3/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.36
NFKBIA P25963 1/20 0.36
RELA Q04206 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ESR1 P03372 1/20 0.36
CCR4 P51679 2/20 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
SCHEMBL6784702 0.83 CYP2C9 (0.46) KMT2AHTTTSHRMEN1ALDH1A1
SCHEMBL6773797 0.80 KMT2A (0.43) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL6780037 0.79 CYP3A4 (0.40) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL6778303 0.79 MEN1 (0.40) KMT2AHTTTSHRSMN1; SMN2MEN1
SCHEMBL6777327 0.78 TLR7 (0.34)
SCHEMBL5031355 0.78 TLR7 (0.40) HTT
SCHEMBL6780566 0.78 CYP3A4 (0.45) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL6778933 0.77 LMNA (0.40) SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL6780266 0.77 CYP2C9 (0.44) KMT2AHTTTSHRMEN1ALDH1A1
SCHEMBL6778251 0.77 MEN1 (0.43) KMT2AHTTTSHRSMN1; SMN2MEN1

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