SCHEMBL16784692

SCHEMBL16784692

Cc1ccc(N2CC2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.42
F2 P00734 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41
HTT P42858 2/20 0.41
ADRB1 P08588 1/20 0.40
GFER P55789 1/20 0.40
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL10169092 0.82 MAPT (0.38) MAPTTDP1LMNANPSR1L3MBTL1
SCHEMBL29331244 0.81 MAPT (0.47) MAPTTDP1LMNANPSR1L3MBTL1
SCHEMBL22542012 0.80 PIM1 (0.39) MAPTTDP1LMNANPSR1L3MBTL1
SCHEMBL12916351 0.80 PIM1 (0.39) MAPTTDP1LMNANPSR1L3MBTL1
SCHEMBL13808671 0.80 PIM1 (0.39) MAPTTDP1LMNANPSR1L3MBTL1
SCHEMBL21204343 0.79 MAPT (0.36) MAPTTDP1LMNANPSR1L3MBTL1
SCHEMBL17642721 0.79 MAPT (0.36) MAPTTDP1LMNANPSR1L3MBTL1
SCHEMBL2610122 0.78 SMN1; SMN2 (0.47) MAPTTDP1LMNANPSR1L3MBTL1
SCHEMBL19003699 0.78 SMN1; SMN2 (0.47) MAPTTDP1LMNANPSR1L3MBTL1
SCHEMBL1071244 0.77 MAPK1 (0.50) MAPTNPSR1L3MBTL1ALDH1A1SMN1; SMN2

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-9050589-B2 Alkene aziridination UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2015-06-09 US disclosed