SCHEMBL8103666

SCHEMBL8103666

CSc1cccc(N2CSC(O)C2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
ALOX15 P16050 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
HSD11B1 P28845 1/20 0.36
KCNJ6 P48051 1/20 0.35
KCNJ3 P48549 1/20 0.35
MAPT P10636 5/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL8099398 0.83 ALOX5 (0.42) ALOX5ALOX15HPGDTSHRFFAR4
SCHEMBL8099488 0.81 MAOA (0.47) ALOX5HSD11B1MAPTALDH1A1GAA
SCHEMBL8090389 0.80 ALDH1A1 (0.43) ALOX5ALOX15TSHRMAPTALDH1A1
SCHEMBL8089994 0.79 MGLL (0.45) MAPTLMNATP53POLBMAPK1
SCHEMBL8097531 0.78 FAAH (0.42) HPGDHSD11B1ALDH1A1LMNAHTT
SCHEMBL8103211 0.78 FADS1 (0.44) ALOX5MAPTALDH1A1LMNAGAA
SCHEMBL8096854 0.78 ATM (0.48) ALOX5HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL8097433 0.77 MEN1 (0.44) ALOX15HPGDTSHRMAPTALDH1A1
SCHEMBL8098979 0.77 GRM2 (0.44) HSD11B1
SCHEMBL8099371 0.75 NSD2 (0.50) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed