SCHEMBL6774053

SCHEMBL6774053

Cc1nc(N)c2ncn(CCCCNS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HTR1A P08908 1/20 0.40
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP24A1 Q07973 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MMP1 P03956 2/20 0.37
MMP12 P39900 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL6783971 0.94 ALDH1A1 (0.44) HDAC1HTR1ALMNASMN1; SMN2ALDH1A1
SCHEMBL6779513 0.89 ALDH1A1 (0.38) HTR1AALDH1A1CYP24A1PKMTLR7
SCHEMBL6779745 0.87 ALDH1A1 (0.51) HTR1ALMNASMN1; SMN2ALDH1A1CYP24A1
SCHEMBL6781246 0.86 HTR7 (0.39) HTR1AALDH1A1MMP1MMP7HTR7
SCHEMBL6777208 0.84 DRD2 (0.41) SMN1; SMN2ALDH1A1PKMMMP1MMP2
SCHEMBL6779152 0.84 TLR7 (0.40) LMNAALDH1A1KDM4ETLR7
SCHEMBL6778222 0.83 ALDH1A1 (0.40) HTR1ASMN1; SMN2ALDH1A1PIK3CDHTR7
SCHEMBL6287653 0.83 F2 (0.39) ALDH1A1HTTTP53EDNRA
SCHEMBL6287659 0.83 F2 (0.39) ALDH1A1HTTTP53EDNRA
SCHEMBL6777563 0.82 SCN1A (0.49) HTR1AALDH1A1KDM4ETLR7HTR7

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