SCHEMBL28050451

SCHEMBL28050451

CC(=O)Oc1cccc(-n2nc(C)cc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
MAPT P10636 4/20 0.53
TSHR P16473 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP3A4 P08684 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.48
ACHE P22303 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.46
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL28690119 0.85 MAPT (0.47) LMNAMAPTTSHRCRHBPCRHR2
SCHEMBL2616607 0.82 SMN1; SMN2 (0.52) LMNAMAPTPOLBSMN1; SMN2RXFP1
SCHEMBL11841355 0.81 MAPT (0.53) LMNAMAPTTSHRPOLBSMN1; SMN2
SCHEMBL16554846 0.77 L3MBTL1 (0.59) MAPTPOLBL3MBTL1ALDH1A1HPGD
SCHEMBL30474531 0.77 L3MBTL1 (0.59) MAPTPOLBL3MBTL1ALDH1A1HPGD
SCHEMBL15443213 0.77 GAA (0.57) LMNAMAPTTSHRCRHBPCRHR2
SCHEMBL2616605 0.76 KDM4E (0.50) MAPTPOLBSMN1; SMN2RXFP1L3MBTL1
SCHEMBL30516210 0.76 KDM4E (0.50) MAPTPOLBSMN1; SMN2RXFP1L3MBTL1
SCHEMBL18055499 0.76 MAPT (0.64) LMNAMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8338087 0.75 ALDH1A1 (0.69) LMNAMAPTPOLBSMN1; SMN2L3MBTL1

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
CN-105189499-A Can be used as alphavβ6Naphthyridine derivatives of integrin antagonists GLAXOSMITHKLINE IP DEV CO LTD 2015-12-23 CN disclosed