SCHEMBL18529323

SCHEMBL18529323

N=C(N)n1ccc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PLAU P00749 1/20 0.46
LMNA P02545 1/20 0.43
CDK4 P11802 4/20 0.42
CCND1 P24385 4/20 0.42
KMT2A Q03164 1/20 0.39
TFPI2 P48307 1/20 0.39
NPY4R P50391 1/20 0.39
GAA P10253 1/20 0.39
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37

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
SCHEMBL3649822 0.79 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL29370778 0.79 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL6508677 0.79 NOTUM (0.55) NOTUMTSHRRAB9AL3MBTL1PLAU
Hydrochloric Acid SCHEMBL16237239 0.78 NOTUM (0.63) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL2079635 0.76 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1PLAU
Hydrochloric Acid SCHEMBL28843911 0.76 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL822742 0.76 NOTUM (0.52) NOTUMTSHRRAB9AL3MBTL1PLAU
SCHEMBL4520021 0.75 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL1151123 0.74 NOTUM (0.70) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL10477477 0.74 NOTUM (0.70) NOTUMTSHRRAB9AL3MBTL1LMNA

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-2017031276-A1 METHODS OF PROVIDING NEUROPROTECTIVE THERAPY RELATED TO ADMINISTERING AN ESTROGEN RECEPTOR BETA LIGAND THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-23 WO disclosed