SCHEMBL8105898

SCHEMBL8105898

COc1cc(N2CSC(OC(=O)NC(C)(C)C)C2=O)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DPP4 P27487 2/20 0.33
FPR2 P25090 1/20 0.33
PHGDH O43175 1/20 0.33
TMPRSS4 Q9NRS4 1/20 0.33
MCHR1 Q99705 4/20 0.33
ACSS2 Q9NR19 1/20 0.33
CNR1 P21554 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 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
SCHEMBL8099316 0.92 TACR1 (0.33)
SCHEMBL8097668 0.86 NR2E1 (0.32)
SCHEMBL2053916 0.86 MEN1 (0.38) LMNAGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8097453 0.84 LMNA (0.41) LMNASMN1; SMN2ALDH1A1
SCHEMBL8102941 0.83 MAPT (0.36) SMN1; SMN2ALDH1A1
SCHEMBL8105978 0.83 TP53 (0.42) LMNAALDH1A1
SCHEMBL8788621 0.83 ACACB (0.36) LMNASMN1; SMN2ALDH1A1
SCHEMBL9272668 0.81 CYP17A1 (0.32)
SCHEMBL8105889 0.80 CACNA1H (0.35) ALDH1A1
SCHEMBL8103588 0.79 NOTUM (0.40) MCHR1

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