SCHEMBL6314871

SCHEMBL6314871

C=CC(=O)NCCCC(=O)c1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
TGM2 P21980 6/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TBXAS1 P24557 2/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7052930 0.91 ALDH1A1 (0.36) ZDHHC20ZDHHC2TGM2GAAALDH1A1
SCHEMBL6314740 0.81 NPC1 (0.35) ALDH1A1NPC1RAB9ATBXAS1KMT2A
SCHEMBL18986866 0.80 F10 (0.36) TSHRNPC1RAB9ATBXAS1KMT2A
SCHEMBL8736180 0.79 TBXAS1 (0.47) ALDH1A1TDP1NPC1RAB9ATBXAS1
SCHEMBL435392 0.78 TBXAS1 (0.50) ZDHHC20ZDHHC2GAATBXAS1
SCHEMBL27993527 0.77 TBXAS1 (0.52) ZDHHC20ZDHHC2TGM2GAATBXAS1
SCHEMBL28848958 0.77 NPC1 (0.40) ALDH1A1NPC1RAB9ATBXAS1KMT2A
SCHEMBL13255601 0.75 KMT2A (0.42) ALDH1A1NPC1RAB9ATBXAS1KMT2A
SCHEMBL647801 0.75 NPC1 (0.41) ALDH1A1NPC1RAB9ATBXAS1KMT2A
SCHEMBL7198930 0.75 TERT (0.49) ZDHHC20ZDHHC2GAAALDH1A1TSHR

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
US-20050014027-A1 Crosslinked polymer doped with iron oxide; diagnosis of nucleic acids BAYER AKTIENGESELLSCHAFT (DE) 2005-01-20 US claimed
US-20050014027-A1 Crosslinked polymer doped with iron oxide; diagnosis of nucleic acids BAYER AKTIENGESELLSCHAFT (DE) 2005-01-20 US disclosed