SCHEMBL7030028

SCHEMBL7030028

Cc1cc(C)cc(OCC(C)Nc2nc(N)nc(C(C)CF)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
NOS2 P35228 1/20 0.32
SYK P43405 1/20 0.30
KMT2A Q03164 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
SCHEMBL8984978 0.88 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BNOS2
SCHEMBL8734802 0.88 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BNOS2
SCHEMBL9292263 0.86 HTR7 (0.32) HTR7ADRA1DADRA1AADRA1BNOS2
SCHEMBL29352185 0.80 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BSYK
SCHEMBL22188696 0.80 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BSYK
SCHEMBL117903 0.80 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BSYK
Bromomethane SCHEMBL3305907 0.78 HTR7 (0.32) HTR7ADRA1DADRA1AADRA1B
SCHEMBL9408484 0.78 NUDT1 (0.36) HTR7ADRA1DADRA1AADRA1B
SCHEMBL9066890 0.78 HTR7 (0.32) HTR7ADRA1DADRA1AADRA1BSYK
SCHEMBL9291907 0.77 ADRB2 (0.41) HTR7ADRA1DADRA1AADRA1BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1487789-A Selective herbicides based on 2, 6-disubstituted pyridine derivatives 2004-04-07 CN claimed
EP-1351571-A2 SELECTIVE HERBICIDES BASED UPON 2,6-DISUBSTITUTED PYRIDINE DERIVATIVES Bayer CropScience AG (DE) 2003-10-15 EP claimed
EP-1278413-A2 N-ARYL-URACILE-BASED HERBICIDES Bayer CropScience AG (DE) 2003-01-29 EP claimed
WO-2001039597-A2 N-ARYL-URACILE-BASED HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-07 WO claimed
WO-2001035740-A2 SELECTIVE HERBICIDES BASED UPON 2,6-DISUBSTITUTED PYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-25 WO claimed
CN-1278607-C Selective herbicides based on 2, 6-disubstituted pyridine derivatives BAYER AG (DE) 2006-10-11 CN disclosed
CN-1768582-A Selective herbicides based on 2,6-disubstituted pyridine derivatives BAYER AG (DE) 2006-05-10 CN disclosed
CN-1487789-A Selective herbicides based on 2, 6-disubstituted pyridine derivatives 2004-04-07 CN disclosed