SCHEMBL19983441

SCHEMBL19983441

SN1CCN(c2ncccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 3/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL10498542 0.87 LMNA (0.70) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL6663539 0.87
SCHEMBL3339822 0.77 KDM4E (0.60) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL18228600 0.77 KDM4E (0.60) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL2168776 0.77 KDM4E (0.60) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL15887432 0.76 LMNA (0.57) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL13116773 0.76 LMNA (0.57) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL18123286 0.76 LMNA (0.57) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL255331 0.76 MAPT (0.57) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL12990524 0.76 LMNA (0.57) LMNAMAPTKDM4EALDH1A1GAA

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
WO-2021032933-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2018053126-A1 INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF VANDERBILT UNIVERSITY (US) 2018-03-22 WO disclosed