SCHEMBL5079010

SCHEMBL5079010

NCCc1ccc2c3c(cccc13)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 5/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
HTR2A P28223 5/20 0.45
HTR2C P28335 3/20 0.45
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 1/20 0.41
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SCN2A Q99250 1/20 0.38
MPO P05164 2/20 0.38

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
SCHEMBL5165673 0.85 KDM4E (0.57) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL29093412 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL11805134 0.79 ALDH1A1 (0.50) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL13101720 0.79 ALDH1A1 (0.53) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL31365970 0.77 ALDH1A1 (0.49) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL5376065 0.77 ALDH1A1 (0.53) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL11809625 0.76 ALDH1A1 (0.48) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL7825857 0.76 MEN1 (0.49) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL18826311 0.73 KDM4E (0.47) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL4813288 0.73 LMNA (0.49) KDM4EALDH1A1HPGDLMNAMEN1

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
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP disclosed