SCHEMBL28025353

SCHEMBL28025353

CC(=O)Nc1cccc(-c2cc(C=O)n[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
PRKD1 Q15139 1/20 0.50
CHEK1 O14757 1/20 0.48
FGFR1 P11362 1/20 0.48
NEK2 P51955 1/20 0.48
MAPK15 Q8TD08 1/20 0.48
TNIK Q9UKE5 1/20 0.47
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 1/20 0.47
NQO2 P16083 2/20 0.47
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL6669387 0.82 MAPT (0.56) MAPTPRKD1CHEK1FGFR1NEK2
SCHEMBL17279957 0.81 PRKD1 (0.67) MAPTPRKD1CHEK1FGFR1NEK2
SCHEMBL25438397 0.77 PRKD1 (0.69) MAPTPRKD1TNIKSMN1; SMN2NPC1
SCHEMBL5020249 0.77 MAPT (0.56) MAPTCHEK1FGFR1NEK2MAPK15
SCHEMBL21247828 0.73 TNIK (0.75) TNIK
SCHEMBL29965978 0.73 TNIK (0.75) TNIK
SCHEMBL12364720 0.73 RAB9A (0.55) MAPTTNIKSMN1; SMN2NPC1RAB9A
SCHEMBL15329674 0.73 NQO2 (0.55) MAPTCYP17A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL6792137 0.72 CYP17A1 (0.60) MAPTCYP17A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL28664306 0.71 FYN (0.56) MAPTPRKD1CHEK1FGFR1NEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105061314-A Neprilysin inhibitors THERAVANCE INC 2015-11-18 CN disclosed
CN-103261164-B Enkephalinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-08-19 CN disclosed