SCHEMBL6481994

SCHEMBL6481994

CCNc1nc2c([nH]1)c(=O)n(CCCCC(C)O)c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.47
RECQL P46063 1/20 0.47
HTT P42858 1/20 0.46
ADORA1 P30542 6/20 0.46
ALOX15 P16050 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6481991 1.00 GAA (0.48) GAAMAPTUSP2RECQLHTT
SCHEMBL6356833 0.89 GAA (0.50) GAAMAPTUSP2RECQLHTT
SCHEMBL6356830 0.89 GAA (0.50) GAAMAPTUSP2RECQLHTT
SCHEMBL4706697 0.88 ADORA1 (0.59) GAAMAPTUSP2RECQLHTT
SCHEMBL4706693 0.88 ADORA1 (0.59) GAAMAPTUSP2RECQLHTT
SCHEMBL8128491 0.85 PDE2A (0.54) GAAMAPTADORA1
SCHEMBL8126523 0.85 PDE2A (0.54) GAAMAPTADORA1
SCHEMBL8126108 0.85 PDE2A (0.54) GAAMAPTADORA1
SCHEMBL6355685 0.84 PDE4A (0.41) GAAMAPT
SCHEMBL6355684 0.84 PDE4A (0.41) GAAMAPT

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-6878715-B1 Therapeutic compounds for inhibiting interleukin-12 signals and method for using same CELL THERAPEUTICS, INC. (US) 2005-04-12 US disclosed