SCHEMBL30968574

SCHEMBL30968574

N#Cc1cccc(N)c1Oc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SLC6A2 P23975 7/20 0.39
HTR1A P08908 6/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AR P10275 1/20 0.38
SLC6A3 Q01959 3/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL22470427 1.00 MAPT (0.46) MAPTKDM4ECRHBPCRHR2SLC6A2
SCHEMBL28719491 0.82 GAA (0.50) MAPTKDM4ECRHBPCRHR2CYP1A2
SCHEMBL31470075 0.81 KDM4E (0.57) MAPTKDM4ECRHBPCRHR2SLC6A2
SCHEMBL8465664 0.79 KDM4E (0.50) MAPTKDM4ECRHBPCRHR2CYP1A2
SCHEMBL30872202 0.78 POLB (0.53) MAPTSLC6A2HTR1AMEN1KMT2A
SCHEMBL18603934 0.78 POLB (0.53) MAPTSLC6A2HTR1AMEN1KMT2A
SCHEMBL3251181 0.77 CYP1A2 (0.43) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL2644811 0.76 KDM4E (0.44) MAPTKDM4EMEN1KMT2AAR
SCHEMBL22470370 0.76 HSPB1 (0.57) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL31470047 0.76 MAPT (0.50) MAPTKDM4ECRHBPCRHR2SLC6A2

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
CN-113677665-B Substituted 2-heteroarylaminobenzenes and salts thereof, and their use as herbicides 拜耳公司 2024-07-16 CN disclosed