SCHEMBL24220348

SCHEMBL24220348

Cc1ccc(B(O)OCC(C)(C)C)cn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NUDT1 P36639 2/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
P4HTM Q9NXG6 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
SCHEMBL532324 0.74 KMT2A (0.36) KMT2AATMADRA2AADRA2BADRA2C
SCHEMBL28324463 0.74 ADRA2A (0.35) KMT2AATMADRA2AADRA2BADRA2C
SCHEMBL28274841 0.74 ADRA2A (0.35) KMT2AATMADRA2AADRA2BADRA2C
SCHEMBL31416487 0.74 ENPP2 (0.41) KMT2A
Ethylene Glycol SCHEMBL28300855 0.73 CA2 (0.41)
SCHEMBL20338444 0.73 NUDT1 (0.35) NUDT1
SCHEMBL31416563 0.73 ORAI1 (0.43)
SCHEMBL20338457 0.71 CA1 (0.52)
SCHEMBL31416556 0.71 POLB (0.35) KMT2A
SCHEMBL116584 0.70 CA2 (0.48) KMT2AATMADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3054773-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-01-26 EP disclosed