SCHEMBL5313045

SCHEMBL5313045

O=C(O)N1CCN(C(=O)CCCCBr)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
KDM4E B2RXH2 1/20 0.59
USP2 O75604 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ATM Q13315 1/20 0.48
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
GNAI3 P08754 3/20 0.43
GNAI1 P63096 3/20 0.43
NPC1 O15118 3/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
GLA P06280 1/20 0.39

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
SCHEMBL6927269 0.92 MEN1 (0.70) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL4865397 0.83 ATM (0.71) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL14520784 0.82 KMT2A (0.57) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL11408812 0.82 ATM (0.68) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL9699192 0.82 ATM (0.68) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL10590320 0.82 ATM (0.68) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL10590368 0.80 ATM (0.65) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL673530 0.80 ATM (0.70) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL20985652 0.79 ATM (0.77) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL23533271 0.78 L3MBTL1 (0.69) MEN1KMT2ATDP1ALDH1A1HSD17B10

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
WO-2007045962-A2 NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed