SCHEMBL8090366

SCHEMBL8090366

CC1(O)SCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.50
CYP11B2 P19099 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP17A1 P05093 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MDM2 Q00987 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
DHFR P00374 1/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL8577305 0.76 ALDH1A1 (0.61) ARCYP11B2MEN1KMT2AMAPT
SCHEMBL8090624 0.76 NPSR1 (0.45) ARMAPTTSHRNPC1TP53
SCHEMBL8105974 0.71 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL5827269 0.70 MEN1 (0.43) MEN1KMT2ACYP17A1ALDH1A1DRD2
SCHEMBL8090519 0.70 HTR7 (0.46) ARMEN1KMT2AMAPTALDH1A1
SCHEMBL17328698 0.70 HDAC11 (0.52) ARMEN1KMT2ACYP17A1OPRM1
SCHEMBL17328699 0.70 HDAC11 (0.52) ARMEN1KMT2ACYP17A1OPRM1
SCHEMBL9797233 0.70 AR (0.49) ARCYP11B2MEN1KMT2AMAPT
SCHEMBL17328696 0.70 HDAC11 (0.52) ARMEN1KMT2ACYP17A1OPRM1
SCHEMBL29872795 0.69 MEN1 (0.61) ARMEN1KMT2AMAPTALDH1A1

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