SCHEMBL8097640

SCHEMBL8097640

CSc1cccc(N2CSC(OC(=O)NC(C)(C)C)C2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CCKBR P32239 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ3 P48549 1/20 0.33
CSNK1E P49674 1/20 0.33
HSD11B1 P28845 1/20 0.32

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
SCHEMBL8098702 0.86 ALDH1A1 (0.38) MEN1KMT2AHPGDALOX15ALDH1A1
SCHEMBL8098460 0.86 NTMT1 (0.35) MAPTMEN1KMT2AKDM4EALOX15
SCHEMBL8102959 0.86 SMN1; SMN2 (0.38) MAPTKDM4ELMNAHPGDHSD11B1
SCHEMBL8096915 0.85 ALDH1A1 (0.38) MEN1KMT2AALOX5LMNAHSD11B1
SCHEMBL8105978 0.85 TP53 (0.42) MAPTLMNAALDH1A1
SCHEMBL8099147 0.85 POLB (0.41) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL8097382 0.85 FAAH (0.32) MEN1KMT2AALDH1A1
SCHEMBL8097540 0.84 POLB (0.36) MAPTALOX5HPGDTSHRALDH1A1
SCHEMBL8097004 0.84 LMNA (0.44) MAPTMEN1KMT2AALOX5LMNA
SCHEMBL2053916 0.83 MEN1 (0.38) MAPTMEN1KMT2ALMNATSHR

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