SCHEMBL11084371

SCHEMBL11084371

CCOC(=O)Cc1c(C(C)N)[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.50
HSD17B10 Q99714 5/20 0.49
HPGD P15428 2/20 0.49
HTR6 P50406 2/20 0.49
KLK6 Q92876 2/20 0.48
ALDH1A1 P00352 5/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR1F P30939 1/20 0.47
HTR7 P34969 1/20 0.47
DRD3 P35462 1/20 0.47
EGFR P00533 2/20 0.46
ERAP1 Q9NZ08 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL11086994 0.83 KDM4E (0.42) KDM4ELMNAHPGDALDH1A1DRD2
SCHEMBL11082444 0.82 AKR1C2 (0.52) KDM4ELMNAHSD17B10HPGDHTR6
SCHEMBL1165573 0.81 KDM4E (0.68) KDM4ELMNAPKMHSD17B10HPGD
SCHEMBL31487317 0.81 KDM4E (0.68) KDM4ELMNAPKMHSD17B10HPGD
SCHEMBL11079965 0.80 KDM4E (0.53) KDM4ELMNAPKMHSD17B10HPGD
SCHEMBL5198795 0.80 KDM4E (0.64) KDM4ELMNAPKMHSD17B10HPGD
SCHEMBL9536890 0.79 LMNA (0.62) KDM4ELMNAPKMHSD17B10HPGD
SCHEMBL4438241 0.79 KDM4E (0.62) KDM4ELMNAPKMHSD17B10HPGD
SCHEMBL3107169 0.77 KDM4E (0.61) KDM4ELMNAPKMHSD17B10HPGD
SCHEMBL4266152 0.77 HTR6 (0.70) KDM4ELMNAPKMHSD17B10HPGD

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-4444768-A ICE CREAM CONE WRAPPER CIBA-GEIGY CORPORATION (US) 1984-04-24 US disclosed