SCHEMBL8298095

SCHEMBL8298095

O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC(O)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CHRNA7 P36544 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL8297736 0.83 MAPT (0.74) MAPTLMNAKDM4EPOLBKMT2A
SCHEMBL3751466 0.81 ALDH1A1 (0.57) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL1472459 0.81 EPHX2 (0.53) ALDH1A1MAPTLMNAPOLBKMT2A
SCHEMBL1471708 0.80 EPHX2 (0.55) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL13148192 0.80 ALDH1A1 (0.59) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL29791119 0.78 ALDH1A1 (0.53) ALDH1A1MAPTLMNAKDM4ETDP1
SCHEMBL27828442 0.77 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL12335437 0.77 USP30 (0.49) ALDH1A1MAPTKDM4ETDP1POLB
SCHEMBL13148162 0.76 ALDH1A1 (0.77) ALDH1A1LMNAKDM4ETDP1POLB
SCHEMBL7552286 0.76 ALDH1A1 (0.56) ALDH1A1MAPTLMNAKDM4ETDP1

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-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO disclosed