SCHEMBL4236195

SCHEMBL4236195

COC(=O)c1[nH]c2cc(Cc3ccc(OC)cc3)c(Cl)c(F)c2c1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSP90AA1 P07900 3/20 0.37
CNR1 P21554 1/20 0.36
HSP90B1 P14625 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 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
SCHEMBL3953044 0.70 GAA (0.43) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL3954170 0.68 ALDH1A1 (0.47) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL13210028 0.65 MAPT (0.47) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL7006291 0.64 KDM4E (0.47) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL2730763 0.64 TUBB4A (0.60) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL17201125 0.63 HSP90AA1 (0.44) KDM4EALOX15NPSR1MEN1KMT2A
SCHEMBL19844014 0.63 KDM4E (0.56) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL4009836 0.63 CA1 (0.56) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL12228533 0.62 MAP2 (0.43) KDM4EALDH1A1MAPTALOX15HPGD
SCHEMBL18796721 0.62 PDE3B (0.61) KDM4EALDH1A1MAPTHSD17B10HPGD

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