SCHEMBL14439848

SCHEMBL14439848

CSc1c(C(C)C)nc(CO)n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
TNF P01375 1/20 0.35
GCGR P47871 1/20 0.35
PLA2G2A P14555 1/20 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
SCHEMBL14439852 0.87 TLR7 (0.35) POLBMEN1KMT2A
SCHEMBL14439853 0.85 MEN1 (0.32) POLBMEN1KMT2ATDP1
SCHEMBL14439846 0.84 PLA2G2A (0.48) TDP1SMN1; SMN2ALDH1A1HPGDPLA2G2A
SCHEMBL6967543 0.82 TDP1 (0.38) POLBMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL6966848 0.82 TDP1 (0.42) POLBMEN1KMT2ATDP1ALDH1A1
SCHEMBL14439849 0.81 PLA2G2A (0.41) POLBMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL6962108 0.81 TDP1 (0.37) POLBMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL7078348 0.80 SMN1; SMN2 (0.36) POLBMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL6975192 0.80 TDP1 (0.43) POLBMEN1KMT2ATDP1ALDH1A1
SCHEMBL6968903 0.80 MEN1 (0.43) POLBMEN1KMT2ATDP1SMN1; SMN2

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