SCHEMBL8577706

SCHEMBL8577706

COC(=O)c1ccc(OCCNc2ncccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
RAB9A P51151 3/20 0.61
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 4/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 2/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HEXA P06865 1/20 0.46
HEXB P07686 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
PKM P14618 1/20 0.45
BLM P54132 1/20 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
SCHEMBL7495602 0.85 PKM (0.58) MAPTRAB9ATDP1L3MBTL1POLB
SCHEMBL5153139 0.81 MAPT (0.72) MAPTRAB9ATDP1L3MBTL1KDM4E
SCHEMBL1951546 0.79 MAPT (1.00) MAPTRAB9ATDP1L3MBTL1KDM4E
SCHEMBL1064735 0.79 CA1 (0.60) MAPTRAB9AL3MBTL1SMN1; SMN2NPC1
SCHEMBL2433046 0.79 MAPT (0.77) MAPTRAB9ATDP1L3MBTL1KDM4E
SCHEMBL2469151 0.78 MAPT (0.89) MAPTRAB9ATDP1L3MBTL1KDM4E
SCHEMBL27578576 0.77 MAPT (0.74) MAPTRAB9ATDP1L3MBTL1KDM4E
SCHEMBL9339044 0.77 MAPT (0.70) MAPTRAB9ATDP1L3MBTL1KDM4E
SCHEMBL5284759 0.77 MAPT (1.00) MAPTRAB9ATDP1L3MBTL1KDM4E
SCHEMBL5054312 0.76 MAPT (0.85) MAPTRAB9ATDP1L3MBTL1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929120-A Guainidino, formamidino, amino and related compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1999-07-27 US disclosed
US-5741796-A Pyridyl and naphthyridyl compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1998-04-21 US disclosed