SCHEMBL4438241

SCHEMBL4438241

CCOC(=O)Cc1c(Br)[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.62
LMNA P02545 1/20 0.62
PKM P14618 1/20 0.55
HSD17B10 Q99714 5/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 2/20 0.51
HTR6 P50406 2/20 0.50
EGFR P00533 2/20 0.50
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR1F P30939 1/20 0.48
HTR7 P34969 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL1165573 0.85 KDM4E (0.68) KDM4ELMNAPKMHSD17B10ALDH1A1
SCHEMBL31487317 0.85 KDM4E (0.68) KDM4ELMNAPKMHSD17B10ALDH1A1
SCHEMBL27191679 0.85 EGFR (0.68) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL5198795 0.84 KDM4E (0.64) KDM4ELMNAPKMHSD17B10ALDH1A1
SCHEMBL9536890 0.83 LMNA (0.62) KDM4ELMNAPKMHSD17B10ALDH1A1
SCHEMBL3107169 0.82 KDM4E (0.61) KDM4ELMNAPKMHSD17B10ALDH1A1
SCHEMBL4266152 0.82 HTR6 (0.70) KDM4ELMNAPKMHSD17B10ALDH1A1
SCHEMBL17674200 0.81 KDM4E (0.45) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL11626470 0.81 KDM4E (0.60) KDM4ELMNAPKMHSD17B10ALDH1A1
SCHEMBL19193162 0.81 KDM4E (0.60) KDM4ELMNAPKMHSD17B10ALDH1A1

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-2943493-B1 THERAPEUTIC COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES INC (US) 2017-08-02 EP disclosed
WO-2014110296-A1 THERAPEUTIC COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2014-07-17 WO disclosed
EP-2134683-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2009-12-23 EP disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 WO disclosed