SCHEMBL8618124

SCHEMBL8618124

CCOc1c(C(=O)c2ccccc2)sc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 2/20 0.59
MAOB P27338 3/20 0.50
NOD2 Q9HC29 1/20 0.50
MAPT P10636 4/20 0.48
SENP5 Q96HI0 5/20 0.47
SENP2 Q9HC62 5/20 0.47
SENP1 Q9P0U3 5/20 0.47
CXCR2 P25025 1/20 0.47
CNR2 P34972 2/20 0.47
MAOA P21397 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
GABRA1 P14867 1/20 0.45
GABRA5 P31644 1/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL15697532 0.87 PTPN2 (0.56) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL4603458 0.86 PTPN1 (0.59) ALDH1A1KMT2ALMNAMAOBNOD2
SCHEMBL4603300 0.84 PTPN2 (0.51) ALDH1A1KMT2ALMNAMAOBNOD2
SCHEMBL4604537 0.84 SENP2 (0.60) ALDH1A1SENP5SENP2SENP1
SCHEMBL4604564 0.83 SENP2 (0.59) ALDH1A1KMT2ALMNAMAOBNOD2
SCHEMBL4605385 0.83 CXCR2 (0.48) ALDH1A1KMT2ALMNAMAOBNOD2
SCHEMBL4604453 0.82 CXCR2 (0.59) ALDH1A1KMT2ALMNAMAOBMAPT
SCHEMBL4603993 0.82 SENP5 (0.47) ALDH1A1KMT2ALMNAMAOBSENP5
SCHEMBL4605404 0.82 PPARA (0.48) ALDH1A1KMT2ALMNAMAOBNOD2
SCHEMBL4604976 0.82 SENP5 (0.63) ALDH1A1KMT2ALMNAMAOBNOD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735821-A4 METHODS FOR THE TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH AMYLOIDOGENIC REPTIDES LILLY CO ELI (US) 1998-04-01 EP claimed
EP-0735821-A1 METHODS FOR THE TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH AMYLOIDOGENIC REPTIDES ELI LILLY AND COMPANY (US) 1996-10-09 EP claimed
WO-1995017095-A1 METHODS FOR THE TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH AMYLOIDOGENIC REPTIDES ELI LILLY AND COMPANY (US) 1995-06-29 WO claimed