SCHEMBL5764441

SCHEMBL5764441

CCc1cc2c(Cl)nc(SC)nc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TRPC5 Q9UL62 1/20 0.37
RGS4 P49798 1/20 0.37
RGS8 P57771 1/20 0.37
NPBWR1 P48145 1/20 0.37
MAPT P10636 2/20 0.36
HTR6 P50406 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.36
MAPK10 P53779 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL5764324 0.86 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDMAPTHTR6
SCHEMBL5762802 0.86 ALDH1A1 (0.47) ALDH1A1HSD17B10TP53HPGDMAPT
SCHEMBL5764673 0.79 LMNA (0.37) TP53MAPTABHD6HTTTSHR
SCHEMBL5764583 0.73 ALDH1A1 (0.36) ALDH1A1HSD17B10HPGDNPBWR1MAPT
SCHEMBL5764846 0.71 GPR4 (0.44) ALDH1A1HPGDMAPTHTTKDM4E
SCHEMBL5765021 0.68 GAA (0.38) ALDH1A1HSD17B10HPGDMAPTHTR6
SCHEMBL5764178 0.66 MAPT (0.40) ALDH1A1HSD17B10TP53MAPTHTR6
SCHEMBL5764508 0.65 PPARG (0.40) ALDH1A1HSD17B10HPGDMAPTKDM4E
SCHEMBL46757 0.64 HTR2A (0.63) ALDH1A1MAPTKDM4EGAATSHR
SCHEMBL4083104 0.63 TP53 (0.54) ALDH1A1TP53MAPTHTTTSHR

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-1091738-B1 BICYCLIC sPLA 2 INHIBITORS LILLY CO ELI (US) 2006-12-06 EP disclosed
US-6384041-B1 ANTIINFLAMMATORY AGENT, TREATMENT OF SHOCK AND ENZYME INHIBITORS ELI LILLY AND COMPANY 2002-05-07 US disclosed