SCHEMBL14439853

SCHEMBL14439853

CSc1c(C(C)C)nc(CO)n1Cc1ccc(CC=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL14439852 0.85 TLR7 (0.35) MEN1KMT2APOLB
SCHEMBL14439848 0.85 POLB (0.46) MEN1KMT2APOLBTDP1
SCHEMBL14439868 0.76 DCTPP1 (0.34) TDP1
SCHEMBL14439846 0.72 PLA2G2A (0.48) TDP1
SCHEMBL14439855 0.72 TDP1 (0.33) TDP1
SCHEMBL6971451 0.71 HSP90B1 (0.33) TDP1
SCHEMBL6966848 0.71 TDP1 (0.42) MEN1KMT2APOLBTDP1
SCHEMBL7087537 0.71 TBXA2R (0.31)
SCHEMBL6972194 0.70 NPC1 (0.41) MEN1KMT2A
SCHEMBL5852651 0.70 KCNH2 (0.35) MEN1KMT2ATDP1

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-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed