SCHEMBL2914850

SCHEMBL2914850

COC(=O)c1cc(-n2c(=O)cc[nH]c2=O)cc(I)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHEK1 O14757 2/20 0.34
CYP3A4 P08684 1/20 0.33
NR4A2 P43354 4/20 0.33
MYC P01106 2/20 0.33
MAPT P10636 1/20 0.32
CREBBP Q92793 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 2/20 0.32
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 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
SCHEMBL2913339 0.84 ALDH1A1 (0.34) KDM4EALDH1A1HPGDNPSR1CHEK1
SCHEMBL2318670 0.80
SCHEMBL2907957 0.77 NR3C1 (0.33) ALDH1A1MAPTMEN1KMT2A
SCHEMBL1530394 0.75 CRBN (0.39) KDM4EALDH1A1HPGDNPSR1CHEK1
SCHEMBL2915235 0.73 RARG (0.34) KDM4EALDH1A1HPGDMYCMAPT
SCHEMBL2319969 0.73 CRBN (0.50) CHEK1POLBPIM1
SCHEMBL2914114 0.70 KAT2B (0.32) ALDH1A1
SCHEMBL2915016 0.69 CYP3A4 (0.47) CYP3A4
SCHEMBL2915591 0.69 CRBN (0.52) CYP3A4
SCHEMBL1530644 0.68 KDM4E (0.45) KDM4EALDH1A1HPGDNPSR1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
EP-2203431-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF Abbott Laboratories (US) 2010-07-07 EP disclosed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed