SCHEMBL8601897

SCHEMBL8601897

O=C(Cn1cnc2ccccc21)N1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
PTGS2 P35354 2/20 0.64
LMNA P02545 2/20 0.63
HTT P42858 2/20 0.61
MAPK1 P28482 1/20 0.60
GRIN2B Q13224 2/20 0.58
POLB P06746 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL15416672 0.87 LMNA (0.67) NPSR1TDP1PTGS2LMNAHTT
SCHEMBL13779968 0.84 LMNA (0.67) NPSR1TDP1PTGS2LMNAHTT
SCHEMBL29724013 0.83 NPSR1 (1.00) NPSR1TDP1PTGS2LMNAHTT
SCHEMBL2876672 0.80 KDM4E (0.60) LMNAHTTMAPK1POLBKDM4E
SCHEMBL6846644 0.80 MAPK1 (0.51) NPSR1TDP1PTGS2LMNAHTT
Hydrochloric Acid SCHEMBL8600514 0.80 MAPK1 (0.64) NPSR1TDP1LMNAHTTMAPK1
SCHEMBL15473947 0.80 LMNA (0.61) TDP1PTGS2LMNAHTTGRIN2B
SCHEMBL20458926 0.80 LMNA (0.58) NPSR1TDP1PTGS2LMNAHTT
SCHEMBL15471365 0.77 LMNA (0.58) NPSR1TDP1PTGS2LMNAHTT
SCHEMBL13039592 0.76 LMNA (0.60) PTGS2LMNAHTTGRIN2BKDM4E

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
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed