SCHEMBL14439827

SCHEMBL14439827

Cc1cc(Cl)cc(Sc2c(C(C)C)nc(COC(N)=O)n2Cc2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
P2RX3 P56373 3/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6967638 0.94 TDP1 (0.39) TDP1POLBL3MBTL1RECQLLMNA
SCHEMBL7080037 0.94 POLB (0.37) TDP1POLBL3MBTL1RECQLLMNA
SCHEMBL13996465 0.90 P2RX3 (0.41) L3MBTL1LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL6966621 0.89 TDP1 (0.40) TDP1POLBL3MBTL1RECQLLMNA
Acetamide SCHEMBL6959979 0.87 TDP1 (0.38) TDP1POLBL3MBTL1RECQLLMNA
SCHEMBL14001658 0.87 P2RX3 (0.35) TDP1P2RX3MAPTTP53
SCHEMBL6975100 0.87 TDP1 (0.33) TDP1POLBRECQLLMNAKMT2A
SCHEMBL6974427 0.86 MAPT (0.38) TDP1L3MBTL1KMT2AALDH1A1TSHR
Capravirine SCHEMBL4656686 0.86 PIM1 (0.35) TDP1L3MBTL1LMNAKMT2AALDH1A1
SCHEMBL6975183 0.86 ENPP2 (0.35) TDP1POLBL3MBTL1RECQLLMNA

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