SCHEMBL8609486

SCHEMBL8609486

O=C(c1ccc(C(F)(F)F)cc1)c1cc(C2CC2)on1.c1ccc2c(c1)S2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
SMYD3 Q9H7B4 6/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
S1PR3 Q99500 4/20 0.40
S1PR1 P21453 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL8650721 0.79 ALDH1A1 (0.56) MEN1KMT2ARAB9ASTAT3STAT1
SCHEMBL21831291 0.76 TSHR (0.57) MEN1KMT2ARAB9ASTAT3STAT1
SCHEMBL23039917 0.76 RAB9A (0.46) MEN1KMT2ARAB9ASTAT3STAT1
SCHEMBL8891026 0.73 SMN1; SMN2 (0.48) MEN1KMT2ARAB9ASTAT3STAT1
SCHEMBL30518902 0.72 S1PR3 (0.56) MEN1KMT2ARAB9ASTAT3STAT1
SCHEMBL8895844 0.71 MEN1 (0.59) MEN1KMT2ARAB9ASTAT3STAT1
SCHEMBL28856869 0.71 S1PR3 (0.58) RAB9ASTAT3STAT1SMYD3S1PR3
SCHEMBL3092594 0.70 MEN1 (0.52) MEN1KMT2ASMYD3S1PR3S1PR1
SCHEMBL8494775 0.70 MEN1 (0.52) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL27626374 0.69 MEN1 (0.51) MEN1KMT2ARAB9ASMYD3S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625505-B1 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-10-28 EP disclosed
US-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed
EP-0625505-A2 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed