SCHEMBL8926445

SCHEMBL8926445

O=C=Nc1cc(OCc2ccccc2)c(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
NFKB1 P19838 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MRGPRX4 Q96LA9 6/20 0.41
PLAU P00749 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39
XBP1 P17861 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL10514264 0.83 SYK (0.50) RAB9ASMN1; SMN2TP53ALDH1A1KMO
SCHEMBL9836317 0.79 PPOX (0.40) RAB9ASMN1; SMN2L3MBTL1HPGDKDM4E
SCHEMBL8555879 0.78 L3MBTL1 (0.46) NPC1RAB9AL3MBTL1KMT2AALDH1A1
SCHEMBL7081041 0.77 LMNA (0.41) HPGD
SCHEMBL9620179 0.77 PPOX (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL4600261 0.77 NPC1 (0.52) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL17010215 0.77 ALOX5 (0.47) MRGPRX4L3MBTL1CYP1A2CYP2C19PPARG
SCHEMBL8887423 0.76 NR1I2 (0.39) HPGDALDH1A1
SCHEMBL9533072 0.76 PPOX (0.43) NPC1RAB9APPOX
SCHEMBL10574907 0.76 GLA (0.41) SMN1; SMN2L3MBTL1ALDH1A1PPOXPPARG

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
US-5602077-A CONTROLLING GROWTH OF UNDESIRED VEGETATION IN PLANTATION CROPS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-02-11 US disclosed
US-5567670-A TETRAHYDROTRIAZINE-DIONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-22 US disclosed
EP-0623117-A1 PYRIMIDIN COMPOUNDS USEFUL AS HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-11-09 EP disclosed
WO-1993014073-A1 PYRIMIDIN COMPOUNDS USEFUL AS HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-07-22 WO disclosed