SCHEMBL10246451

SCHEMBL10246451

Cc1nc(Cl)nc(OCCOCCOCc2ccc(C(C)C)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
NR3C1 P04150 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
NFKB1 P19838 1/20 0.33
ALOX5 P09917 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
GCGR P47871 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL17997013 0.80
SCHEMBL17997016 0.73 MEN1 (0.37) MAPTMEN1LMNAKMT2AL3MBTL1
SCHEMBL18470128 0.73 MEN1 (0.37) MAPTMEN1LMNAKMT2AL3MBTL1
SCHEMBL17066149 0.73 L3MBTL1 (0.45) MAPTLMNAALOX5L3MBTL1
SCHEMBL13934335 0.73 NCF1 (0.33)
SCHEMBL17887406 0.69 IDO1 (0.55) IDO1RXRARXRBEGLN1ALOX5
SCHEMBL12393233 0.69 TSHR (0.35)
SCHEMBL10037561 0.69 IDO1 (0.59) IDO1RXRARXRBEGLN1MEN1
SCHEMBL2293769 0.68 IDO1 (0.68) IDO1RXRARXRBEGLN1ALOX5
SCHEMBL6271267 0.68 ALDH1A1 (0.40)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193678-B2 Chemical agents capable of forming covalent 3-D networks OXFORD ADVANCED SURFACES LTD (GB) 2015-11-24 US disclosed
US-20120021223-A1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS OXFORD ADVANCED SURFACES LTD. (GB) 2012-01-26 US disclosed