SCHEMBL11111830

SCHEMBL11111830

CCN(CC)c1ccc(-n2nc(C)c(C)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.46
MAPT P10636 7/20 0.46
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
GFER P55789 2/20 0.45
RECQL P46063 2/20 0.45
PSMD14 O00487 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 3/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.44
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42

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
SCHEMBL9655586 0.81 HPGD (0.53) ALDH1A1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL10999006 0.79 TERT (0.51) ALDH1A1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL3422262 0.79 NPC1 (0.53) ALDH1A1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL11107461 0.78 ALDH1A1 (0.52) ALDH1A1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL9655378 0.78 MEN1 (0.46) ALDH1A1MAPTTSHRLMNAHTT
SCHEMBL11109424 0.78 CYP2C19 (0.59) ALDH1A1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL11107966 0.77 APP (0.47) ALDH1A1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL4714119 0.76 NPC1 (0.68) ALDH1A1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL9704277 0.74 MAPT (0.44) ALDH1A1MAPTTSHRSMN1; SMN2HTT
SCHEMBL3229472 0.74 NPC1 (0.63) ALDH1A1MAPTTSHRSMN1; 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
US-4456672-A Electrophotographic recording materials containing triazole charge carrier-transporting compounds BASF AKTIENGESELLSCHAFT (DE) 1984-06-26 US disclosed