SCHEMBL6982744

SCHEMBL6982744

COc1ccc(C(=O)c2sccc2NCC(=O)NCC2CCNCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.45
HTR4 Q13639 1/20 0.43
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM1A O60341 1/20 0.39
MAPK10 P53779 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FAAH O00519 1/20 0.37
ACHE P22303 1/20 0.37
CXCR3 P49682 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
SCHEMBL6987162 0.85 EP300 (0.44) EP300HTR4ALDH1A1SMN1; SMN2KDM1A
Hydrochloric Acid SCHEMBL6985260 0.84 FAAH (0.40) HTR4ALDH1A1MAPK10LMNAKDM4E
SCHEMBL6984079 0.82 EP300 (0.42) EP300HTR4ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6985733 0.81 HTR4 (0.43) EP300HTR4ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6989025 0.81 HTR4 (0.43) EP300HTR4ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6990414 0.81 HTR4 (0.43) EP300HTR4ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6986612 0.80 HTR4 (0.43) EP300HTR4ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6985413 0.80 HTR4 (0.43) EP300HTR4ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6983529 0.79 HTR4 (0.42) EP300HTR4ALDH1A1SMN1; SMN2KDM1A
SCHEMBL6987917 0.79 HTR4 (0.42) EP300HTR4ALDH1A1SMN1; 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