SCHEMBL8097690

SCHEMBL8097690

CN(C)C(=O)OC1SCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.31
KCNH2 Q12809 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL8105928 0.89 MEN1 (0.39) KCNH2ALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL8099316 0.81 TACR1 (0.33) TACR1MAPTFFAR4
SCHEMBL8099299 0.81 USP2 (0.36) TACR1
SCHEMBL8105924 0.77 ALDH1A1 (0.40) ALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL8097668 0.74 NR2E1 (0.32)
SCHEMBL8105898 0.74 EPHX2 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL8099417 0.74 ADRB1 (0.36) TACR1FFAR4
SCHEMBL8792368 0.73 MEN1 (0.40) ALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL8090122 0.73 MEN1 (0.39) ALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL8102941 0.72 MAPT (0.36) ALDH1A1MAPTSMN1; SMN2

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