SCHEMBL3954170

SCHEMBL3954170

CCOC(=O)c1[nH]c2ccc(Cl)c(Cc3ccc(OC)cc3)c2c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
HPGD P15428 7/20 0.47
KDM4E B2RXH2 6/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.44
PTPN5 P54829 1/20 0.43
LMNA P02545 6/20 0.43
HTT P42858 4/20 0.43
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 1/20 0.42
NQO2 P16083 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40

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
SCHEMBL12228533 0.76 MAP2 (0.43) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL5736875 0.74 MAPT (0.41) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL6859385 0.73 HTR6 (0.61) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL3957063 0.72 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL5737134 0.71 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL31416345 0.70 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL9023820 0.70 MAPT (0.46) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL3957070 0.69 TUBB4A (0.59) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL4236195 0.68 KDM4E (0.38) ALDH1A1HPGDKDM4EMAPTPTPN5
SCHEMBL31416387 0.67 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078029-A2 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2009-07-15 EP disclosed
WO-2008042240-A9 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2008-08-07 WO disclosed
WO-2008042240-A2 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2008-04-10 WO disclosed