SCHEMBL6985945

SCHEMBL6985945

CCOC(=O)CNc1cccc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HTT P42858 3/20 0.57
KDM4E B2RXH2 2/20 0.57
TP53 P04637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KMT2A Q03164 5/20 0.54
POLB P06746 3/20 0.54
MEN1 O00255 4/20 0.53
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HDAC6 Q9UBN7 4/20 0.50
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
KDR P35968 1/20 0.50
MAPT P10636 4/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49

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
SCHEMBL8492629 0.87 HTT (0.55) HPGDALDH1A1HTTKDM4ETP53
SCHEMBL31586705 0.83 POLB (0.50) HPGDALDH1A1HTTKDM4EKMT2A
SCHEMBL1011405 0.81 KMT2A (0.63) HPGDALDH1A1HTTKMT2APOLB
SCHEMBL6977349 0.80 MEN1 (0.55) HPGDALDH1A1HTTHSD17B10KMT2A
SCHEMBL6982393 0.80 POLB (0.62) HPGDALDH1A1HTTKDM4EHSD17B10
SCHEMBL5326796 0.79 HDAC4 (0.67) HPGDALDH1A1HTTKMT2APOLB
SCHEMBL6786453 0.78 POLB (0.60) HPGDALDH1A1HTTKMT2APOLB
SCHEMBL3215310 0.78 PKM (0.43) HPGDALDH1A1HTTKDM4ETP53
SCHEMBL5328065 0.78 HDAC1 (0.69) HPGDALDH1A1HTTKMT2APOLB
SCHEMBL697406 0.77 HPGD (0.64) HPGDALDH1A1KDM4EHSD17B10KMT2A

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
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed