SCHEMBL14439849

SCHEMBL14439849

CSc1c(C(C)C)nc(COC(N)=O)n1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.41
TSHR P16473 2/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KMT2A Q03164 2/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 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
SCHEMBL14439846 0.85 PLA2G2A (0.48) PLA2G2AALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL6967638 0.85 TDP1 (0.39) PLA2G2ATSHRALDH1A1TDP1L3MBTL1
SCHEMBL7080037 0.85 POLB (0.37) PLA2G2ATSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL6975183 0.84 ENPP2 (0.35) PLA2G2ATSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL6972373 0.83 PIM1 (0.36) TSHRALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL6966621 0.83 TDP1 (0.40) TDP1L3MBTL1KMT2ARECQLMEN1
SCHEMBL6962251 0.83 TDP1 (0.38) PLA2G2ATSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL14439827 0.82 TDP1 (0.37) TSHRALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL7086385 0.81 TLR7 (0.35) ALDH1A1TDP1L3MBTL1KMT2ALMNA
SCHEMBL14439848 0.81 POLB (0.46) PLA2G2ATSHRALDH1A1HPGDSMN1; 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