SCHEMBL8330859

SCHEMBL8330859

CCNC(=O)c1ccc(F)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.54
CXCR5 P32302 1/20 0.50
CNR1 P21554 4/20 0.47
CNR2 P34972 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 1/20 0.43
MAPK10 P53779 1/20 0.43
SCN9A Q15858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
NSD2 O96028 1/20 0.41
LMNA P02545 1/20 0.41
PLK1 P53350 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
SCHEMBL7970116 0.81 GAA (0.61) BRD4CXCR5CNR1CNR2HTT
SCHEMBL11238279 0.80 NSD2 (0.59) BRD4L3MBTL1HTTKMT2AKDM4E
SCHEMBL13485805 0.79 HDAC8 (0.56) CXCR5CNR1CNR2KMT2AMAPK10
SCHEMBL744426 0.79 GAA (0.63) KMT2AKDM4ELMNA
SCHEMBL30621479 0.79 GAA (0.63) KMT2AKDM4ELMNA
SCHEMBL31079914 0.77 CES2 (0.53) BRD4L3MBTL1HTTKMT2ATSHR
SCHEMBL4114890 0.77 CNR1 (0.50) CXCR5CNR1CNR2L3MBTL1KMT2A
SCHEMBL2117675 0.76 PLK1 (0.66) BRD4KMT2APLK1
SCHEMBL31483721 0.76 HTT (0.64) BRD4L3MBTL1HTTKMT2ATSHR
SCHEMBL26417076 0.76 HTT (0.64) BRD4L3MBTL1HTTKMT2ATSHR

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
US-5994270-A CONTROLLING GAEUMANNOMYCES MONSANTO COMPANY (US) 1999-11-30 US disclosed
EP-0619297-B1 Fungicides for the control of take-all desease of plants MONSANTO CO (US) 1997-06-18 EP disclosed
EP-0619297-A1 Fungicides for the control of take-all desease of plants MONSANTO COMPANY (US) 1994-10-12 EP disclosed