SCHEMBL8606265

SCHEMBL8606265

COc1ccc(C(=O)C(C#N)C(=O)C2CC2)c(S(C)(=O)=O)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
ABL1 P00519 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CTSC P53634 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL8606856 0.85 NR1I2 (0.32) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL8196089 0.84 WDR5 (0.33) LMNACTSLCTSBCTSSCTSK
SCHEMBL1740206 0.84 F10 (0.37) CNR1KMT2AHTT
SCHEMBL29355315 0.84 F10 (0.37) CNR1KMT2AHTT
SCHEMBL3950084 0.82 TSHR (0.32) TSHRCTSKCTSC
SCHEMBL1071604 0.81 CACNA1B (0.45)
SCHEMBL8031405 0.81 NR1I2 (0.33)
SCHEMBL29355292 0.81 CACNA1B (0.45)
SCHEMBL18422535 0.81 CACNA1B (0.45)
SCHEMBL8605907 0.81 BCAT2 (0.40) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496631-B1 2-Cyano-1,3-dione herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-07 EP claimed
EP-0496631-A1 2-Cyano-1,3-dione herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1992-07-29 EP claimed
US-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed
EP-0496631-B1 2-Cyano-1,3-dione herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-07 EP disclosed
EP-0496631-A1 2-Cyano-1,3-dione herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1992-07-29 EP disclosed