SCHEMBL7913732

SCHEMBL7913732

NC(=O)C(=O)C1=CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR6 P50406 1/20 0.37
NOTUM Q6P988 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
PABPC1 P11940 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2B P41595 3/20 0.33
HTR7 P34969 2/20 0.33
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL4527060 0.85 NOTUM (0.40) HTTSMN1; SMN2HTR6NOTUMKDM4E
SCHEMBL11813906 0.80 HTR6 (0.37) SMN1; SMN2HTR6NOTUMALDH1A1CES1
SCHEMBL31147237 0.80 SRD5A2 (0.43) SMN1; SMN2HTR6NOTUMKDM4EALDH1A1
SCHEMBL335207 0.80 SRD5A2 (0.43) SMN1; SMN2HTR6NOTUMKDM4EALDH1A1
Water SCHEMBL28651054 0.79 HTR6 (0.32) HTR6ALDH1A1CES1MAOASRD5A2
SCHEMBL3614858 0.79 RNASEH1 (0.36) SMN1; SMN2HTR6NOTUMALDH1A1CES1
SCHEMBL23079026 0.77 HTR6 (0.35) SMN1; SMN2HTR6NOTUMKDM4EALDH1A1
SCHEMBL4527055 0.77 HTR6 (0.35) SMN1; SMN2HTR6KDM4EMEN1ALDH1A1
SCHEMBL30191469 0.77 NOTUM (0.39) HTR6NOTUMALDH1A1HTR2BHTR2C
SCHEMBL23073778 0.77 HTR6 (0.39) HTTSMN1; SMN2HTR6NOTUMKDM4E

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
US-6214876-B1 PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY 2001-04-10 US disclosed