SCHEMBL8606989

SCHEMBL8606989

CC(C)S(=O)(=O)c1ccccc1C(=O)C(C#N)C(=O)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
NAAA Q02083 1/20 0.32
POLB P06746 1/20 0.32
PTK2 Q05397 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CDK7 P50613 2/20 0.30
CDK9 P50750 2/20 0.30
ATM Q13315 1/20 0.30
ABL1 P00519 1/20 0.30
AURKA O14965 1/20 0.30
NTRK1 P04629 1/20 0.30
IGF1R P08069 1/20 0.30
CDK4 P11802 1/20 0.30
EPHA1 P21709 1/20 0.30
CDK2 P24941 1/20 0.30
CDK3 Q00526 1/20 0.30
CDK6 Q00534 1/20 0.30
CDK5 Q00535 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
SCHEMBL8605907 0.87 BCAT2 (0.40) LMNAPOLBKDM4EALDH1A1
SCHEMBL8609001 0.85 TSHR (0.37) LMNANAAAPOLBALDH1A1ATM
SCHEMBL8891679 0.80 NR3C1 (0.36) LMNAPOLBKMT2ACDK2
SCHEMBL8606856 0.74 NR1I2 (0.32) LMNAKMT2A
SCHEMBL8890879 0.74 DPP4 (0.37) LMNAKDM4EALDH1A1
SCHEMBL1740206 0.73 F10 (0.37) KMT2AKDM4EALDH1A1
SCHEMBL8815658 0.73
SCHEMBL8196089 0.73 WDR5 (0.33) LMNA
SCHEMBL29355315 0.73 F10 (0.37) KMT2AKDM4EALDH1A1
SCHEMBL8606265 0.71 CNR1 (0.39) LMNAKMT2AABL1

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