SCHEMBL20765843

SCHEMBL20765843

CCOC(=O)COc1cccc(CN2CCN(C(=O)c3ccc4[nH]c(-c5ccccc5)nc4c3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
ROCK2 O75116 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 2/20 0.47
PKM P14618 1/20 0.47
FAAH O00519 1/20 0.45
MAPK14 Q16539 2/20 0.45
NPC1 O15118 1/20 0.44
MGLL Q99685 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHEK2 O96017 2/20 0.42
WNK1 Q9H4A3 1/20 0.42

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
SCHEMBL20765430 0.90 LMNA (0.54) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL19970750 0.83 MEN1 (0.53) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL20765818 0.83 ROCK2 (0.49) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL20765490 0.81 MAPK14 (0.54) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL20765771 0.80 ALDH1A1 (0.59) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL20765547 0.78 MAPK14 (0.55) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL20774945 0.78 MAPK14 (0.55) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20765715 0.77 ALDH1A1 (0.56) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL19970751 0.77 BCHE (0.55) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL20765516 0.77 MAPK14 (0.48) LMNAALDH1A1KDM4EMEN1KMT2A

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-2019038683-A1 COMPOUNDS TARGETING TANDEM BRCT DOMAINS OF BRCA1, COMPOSITIONS AND METHODS THEREOF INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (IN) 2019-02-28 WO claimed