SCHEMBL11286754

SCHEMBL11286754

Cc1cnc(CCO)n1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
GRM5 P41594 1/20 0.36
KDM4E B2RXH2 4/20 0.35
POLB P06746 2/20 0.35
PTGS2 P35354 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
USP14 P54578 2/20 0.34
USP7 Q93009 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
PIK3CD O00329 1/20 0.33
AOC3 Q16853 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL11283234 0.84 ALDH1A1 (0.40) NOTUMKDM4ESMN1; SMN2TDP1TSHR
SCHEMBL11181865 0.76 DRD2 (0.45) POLBMAPT
SCHEMBL16713034 0.74 PTGS2 (0.51) NOTUMGRM5KDM4EPOLBPTGS2
SCHEMBL6510547 0.71 PTGS2 (0.39) NOTUMGRM5KDM4EPOLBPTGS2
SCHEMBL22290195 0.68 KCNH2 (0.40) NOTUMSMN1; SMN2MAPTLMNA
SCHEMBL23147891 0.67 NOTUM (0.49) NOTUMGRM5KDM4EPOLBPTGS2
SCHEMBL23147167 0.67 KDM4E (0.46) NOTUMGRM5KDM4EPOLBPTGS2
SCHEMBL29812412 0.66 L3MBTL1 (0.47) NOTUMGRM5KDM4EPOLBPTGS2
SCHEMBL12247832 0.66 MEN1 (0.49) KDM4EPTGS2SMN1; SMN2PIK3CAMTOR
SCHEMBL14248904 0.65 POLB (0.46) KDM4EPOLBTSHRMAPK1MAPT

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
US-4338453-A Aminoalkyl-1,2,4-triazoles THE UPJOHN COMPANY (US) 1982-07-06 US disclosed