SCHEMBL16657115

SCHEMBL16657115

Cc1nc(C)nc(NC(C)(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 1/20 0.54
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 2/20 0.46
PDE4A P27815 1/20 0.46
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.41
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.37
IDH2 P48735 2/20 0.36
IDH1 O75874 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL10619199 0.82 SMN1; SMN2 (0.74) SMN1; SMN2LMNAMAPTCYP1A2CYP2C19
SCHEMBL465867 0.77 NPSR1 (0.54) SMN1; SMN2LMNAMAPTCYP1A2CYP2C19
SCHEMBL12883321 0.74 MAPT (0.59) SMN1; SMN2LMNAMAPTCYP1A2CYP2C19
SCHEMBL13588261 0.74 NPSR1 (0.33) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL14438979 0.72 PDE4A (0.78) SMN1; SMN2LMNAMAPTCYP1A2CYP2C19
SCHEMBL11251263 0.70 SMN1; SMN2 (0.65) SMN1; SMN2LMNAMAPTCYP1A2CYP2C19
SCHEMBL9387084 0.70 LMNA (1.00) SMN1; SMN2LMNAMAPTCYP1A2CYP2C19
SCHEMBL6168317 0.70 LMNA (0.90) SMN1; SMN2LMNAMAPTCYP1A2CYP2C19
SCHEMBL10599233 0.70 SMN1; SMN2 (0.58) SMN1; SMN2LMNAMAPTCYP1A2CYP2C19
SCHEMBL14124529 0.69 GAA (0.30) GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550011-B2 Surface coatings for biological implants and prostheses INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-01-24 US disclosed
US-9550011-B2 Surface coatings for biological implants and prostheses INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-01-24 US disclosed
US-20150109573-A1 SURFACE COATINGS FOR BIOLOGICAL IMPLANTS AND PROSTHESES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-04-23 US disclosed
US-20150109573-A1 SURFACE COATINGS FOR BIOLOGICAL IMPLANTS AND PROSTHESES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-04-23 US disclosed