SCHEMBL6907405

SCHEMBL6907405

CCN(CC)C(=O)n1cnc([S+]([O-])c2c(C)cc(C)cc2C)n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 2/20 0.33
TSPO P30536 2/20 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
SCHEMBL10506109 0.75 LMNA (0.35) LMNASMN1; SMN2TDP1
SCHEMBL10595030 0.74 LMNA (0.36) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8441293 0.73 KMT2A (0.49) KMT2AKDM4EALDH1A1HPGDLMNA
SCHEMBL8634241 0.71 MAPT (0.31)
Cafenstrole SCHEMBL54625 0.71 KMT2A (0.49) KMT2AKDM4EALDH1A1HPGDLMNA
SCHEMBL9378052 0.70 MRGPRX4 (0.36)
SCHEMBL11377282 0.66 P2RX1 (0.35)
SCHEMBL2854196 0.66 TDP1 (0.38) KMT2AKDM4EALDH1A1HPGDLMNA
SCHEMBL7660067 0.65 LMNA (0.37) KMT2AALDH1A1HPGDLMNAMEN1
SCHEMBL11373109 0.64 AHR (0.32)

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-1453377-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES Bayer CropScience AG (DE) 2004-09-08 EP claimed
EP-1429612-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE Bayer CropScience AG (DE) 2004-06-23 EP claimed
WO-2003047346-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-06-12 WO claimed
WO-2003026426-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE BAYER CROPSCIENCE AG (DE) 2003-04-03 WO claimed