SCHEMBL14439857

SCHEMBL14439857

COc1ccc(Cn2c(COCc3ccccc3)nc(C(C)C)c2Sc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.39
TP53 P04637 6/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
CCR2 P41597 1/20 0.36
CDC25A P30304 2/20 0.36
CDC25B P30305 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34

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
SCHEMBL6957630 1.00 DHODH (0.39) DHODHTP53MAPTSMN1; SMN2GAA
SCHEMBL14439828 0.93 TDP1 (0.40) DHODHTP53MAPTSMN1; SMN2TDP1
SCHEMBL6973428 0.91 GABRA1 (0.36) DHODHTP53MAPTSMN1; SMN2GAA
SCHEMBL6974229 0.90 MAPT (0.34) DHODHTP53MAPTSMN1; SMN2GAA
SCHEMBL5853114 0.89 TDP1 (0.37) DHODHTP53MAPTTDP1ALDH1A1
SCHEMBL6960939 0.89 TP53 (0.35) TP53MAPTTDP1
SCHEMBL6965629 0.88 DHFR (0.33) DHODHTP53MAPTSMN1; SMN2GAA
SCHEMBL6962510 0.87 MAPT (0.39) DHODHMAPTTDP1CCR2CDC25A
SCHEMBL14459507 0.87 P2RX3 (0.35) TP53MAPTSMN1; SMN2GAACCR2
SCHEMBL6966496 0.86 VCP (0.37) DHODHTP53MAPTSMN1; SMN2TDP1

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