SCHEMBL19414975

SCHEMBL19414975

CCOC(=O)Nc1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.61
ALDH1A1 P00352 5/20 0.61
HTT P42858 2/20 0.61
HSP90AA1 P07900 1/20 0.61
CACNA1B Q00975 1/20 0.61
APBA1 Q02410 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MGLL Q99685 3/20 0.47

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
SCHEMBL18539446 0.85 SMN1; SMN2 (0.51) HPGDALDH1A1HTTHSP90AA1CACNA1B
SCHEMBL7565510 0.82 RAB9A (0.71) HPGDALDH1A1HTTNPSR1NPC1
SCHEMBL4996605 0.81 SCN2A (0.65) HPGDALDH1A1NPSR1NPC1RAB9A
SCHEMBL8194022 0.79 HSP90AA1 (0.59) HPGDALDH1A1HTTHSP90AA1CACNA1B
SCHEMBL13931460 0.77 HSP90AA1 (0.40) HPGDALDH1A1HTTHSP90AA1CACNA1B
SCHEMBL8505932 0.77 SCN2A (0.63) HPGDALDH1A1HTTHSP90AA1NPSR1
SCHEMBL7083417 0.77 RAB9A (0.57) HPGDALDH1A1NPSR1NPC1RAB9A
SCHEMBL5134832 0.77 TP53 (0.60) HPGDALDH1A1HTTHSP90AA1CACNA1B
SCHEMBL5580375 0.77 MGLL (0.60) HSP90AA1NPSR1TDP1RAB9ASMN1; SMN2
SCHEMBL9146676 0.77 LMNA (0.68) HPGDALDH1A1HTTNPSR1NPC1

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
EP-2442839-B1 BLOCK COPOLYMER BLENDS UNIV QUEENSLAND (AU) 2017-10-04 EP disclosed