SCHEMBL8666534

SCHEMBL8666534

CSc1nc(C)cc(Oc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
MEN1 O00255 4/20 1.00
HTT P42858 2/20 1.00
LMNA P02545 7/20 0.62
TSHR P16473 3/20 0.62
NPSR1 Q6W5P4 3/20 0.62
MAPT P10636 6/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
HPGD P15428 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
MAPK1 P28482 2/20 0.59
CYP2C19 P33261 2/20 0.59
ATM Q13315 1/20 0.59
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
THRB P10828 1/20 0.50
GAA P10253 1/20 0.49

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
Phenol SCHEMBL8966293 0.93 KMT2A (0.86) KMT2AMEN1HTTLMNATSHR
SCHEMBL7799660 0.90 HTT (0.81) KMT2AMEN1HTTLMNATSHR
SCHEMBL10673148 0.84 KMT2A (0.72) KMT2AMEN1HTTLMNATSHR
SCHEMBL6623348 0.82 MEN1 (0.69) KMT2AMEN1HTTLMNATSHR
SCHEMBL7359426 0.80 KMT2A (0.67) KMT2AMEN1HTTLMNATSHR
SCHEMBL17623918 0.79 MAPT (0.67) KMT2AMEN1HTTLMNATSHR
SCHEMBL8557424 0.76 KMT2A (0.61) KMT2AMEN1HTTLMNATSHR
SCHEMBL23010902 0.76 MAPT (0.63) KMT2AMEN1HTTLMNATSHR
SCHEMBL4528068 0.76 NPC1 (0.67) KMT2AMEN1HTTLMNATSHR
SCHEMBL446237 0.76 MAPT (0.63) KMT2AMEN1HTTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723412-A HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-03-03 US disclosed
EP-0694538-A2 2-benzyloxy-4-phenoxypyrimidine derivative, processes for producing the derivative and herbicidal composition containing the derivative KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-01-31 EP disclosed