SCHEMBL6984092

SCHEMBL6984092

COc1ccc(C(=O)c2c[nH]c(NCC(=O)NCC3CCNCC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.46
EP300 Q09472 2/20 0.42
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM1A O60341 1/20 0.38
CDK2 P24941 1/20 0.38
IKBKE Q14164 1/20 0.38
AURKB Q96GD4 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
SYK P43405 1/20 0.36
JAK3 P52333 1/20 0.36
SCN9A Q15858 1/20 0.36
FAAH O00519 1/20 0.36
ACHE P22303 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
SCHEMBL6985286 0.79 ACP1 (0.45) HTR4EP300ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6982744 0.77 EP300 (0.45) HTR4EP300ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6984079 0.76 EP300 (0.42) HTR4EP300ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6987162 0.76 EP300 (0.44) HTR4EP300ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6985733 0.76 HTR4 (0.43) HTR4EP300ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6989025 0.76 HTR4 (0.43) HTR4EP300ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6990414 0.76 HTR4 (0.43) HTR4EP300ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6985413 0.75 HTR4 (0.43) HTR4EP300ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6986612 0.75 HTR4 (0.43) HTR4EP300ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6983529 0.73 HTR4 (0.42) HTR4EP300ALDH1A1SMN1; SMN2KDM1A

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
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed