SCHEMBL8677012

SCHEMBL8677012

O=c1[nH]c(-c2ccccc2)nc(C(F)(F)F)c1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
ALDH1A1 P00352 4/20 0.66
HSP90AA1 P07900 1/20 0.66
HTT P42858 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
HPGD P15428 3/20 0.51
TNKS O95271 6/20 0.50
TNKS2 Q9H2K2 6/20 0.50
POLB P06746 2/20 0.50
WNT3A P56704 1/20 0.50
PARP1 P09874 3/20 0.49
MEN1 O00255 4/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL8677237 0.80 XDH (0.68) KMT2AALDH1A1L3MBTL1HPGDTNKS
SCHEMBL8678923 0.78 KDM4E (0.48) KMT2AALDH1A1HSP90AA1HTTNPSR1
SCHEMBL9006008 0.75 HPGD (0.50) ALDH1A1L3MBTL1HPGDTNKSTNKS2
SCHEMBL5383503 0.74 MAPK13 (0.60) ALDH1A1HPGDPOLBMAPTCYP1A2
SCHEMBL8677247 0.74 SMN1; SMN2 (0.62) ALDH1A1HPGDTNKSTNKS2POLB
SCHEMBL655574 0.73 HPGD (0.49) KMT2AALDH1A1L3MBTL1HPGDTNKS
SCHEMBL7184765 0.71 HPGD (0.47) KMT2AALDH1A1HTTNPSR1HPGD
SCHEMBL649956 0.70 HPGD (0.45) HPGDTNKSTNKS2WNT3ACYP1A2
SCHEMBL23414938 0.69 ALDH1A1 (0.48) KMT2AALDH1A1HSP90AA1HTTNPSR1
SCHEMBL17959973 0.69 ALDH1A1 (0.48) KMT2AALDH1A1HSP90AA1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726124-A IN MIXTURE WITH OTHER HERBICIDES, ALKYLATION AND ETHERIFICATION OF PYRIMIDINONE AND THIOPYRIMIDINONE COMPOUNDS ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
EP-0579424-B1 2-substituted pyrimidines and herbicidal use thereof ROHM & HAAS (US) 1996-10-23 EP disclosed
EP-0696588-A1 2-Arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1996-02-14 EP disclosed
CN-1109879-A 2-arylpyrimidines and herbicidal use thereof ROHM & HAAS (US) 1995-10-11 CN disclosed
US-5453414-A 2-arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1995-09-26 US disclosed
EP-0663396-A1 2-Arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1995-07-19 EP disclosed
US-5300477-A 2-arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-04-05 US disclosed
CN-1084165-A 2-Arylpyrimidines and weeding thereof are used ROHM & HAAS (US) 1994-03-23 CN disclosed
EP-0579424-A1 2-substituted pyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-01-19 EP disclosed