SCHEMBL11873809

SCHEMBL11873809

CCOC(=O)c1cn(Cc2ccccc2)c2nc(N3CCNCC3)ncc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
CASP1 P29466 1/20 0.52
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 5/20 0.47
MAPK1 P28482 3/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C9 P11712 3/20 0.45
USP2 O75604 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
CSF1R P07333 1/20 0.45
ENPP2 Q13822 4/20 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
SCHEMBL11871919 0.88 LMNA (0.60) LMNACASP1NPSR1KDM4EMAPK1
SCHEMBL11582546 0.88 LMNA (0.63) LMNACASP1NPSR1KDM4EMAPK1
SCHEMBL11583159 0.86 LMNA (0.59) LMNACASP1NPSR1KDM4EMAPK1
SCHEMBL11584563 0.82 LMNA (0.63) LMNACASP1NPSR1KDM4EMAPK1
SCHEMBL11881204 0.81 LMNA (0.61) LMNACASP1NPSR1KDM4EMAPK1
SCHEMBL11873463 0.80 CASP1 (0.46) LMNACASP1KDM4ETSHRALDH1A1
SCHEMBL3526298 0.80 TSHR (0.54) LMNAKDM4EMAPK1TSHRTDP1
SCHEMBL11874422 0.79 LMNA (0.57) LMNACASP1NPSR1KDM4EMAPK1
SCHEMBL11582889 0.79 LMNA (0.77) LMNACASP1NPSR1KDM4EMAPK1
SCHEMBL3530225 0.79 TSHR (0.51) LMNANPSR1KDM4EMAPK1TSHR

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-3962443-A Antibacterial pharmaceutical compositions and processes for preparation thereof DAINIPPON PHARMACEUTICAL CO., LTD. (JA) 1976-06-08 US disclosed