SCHEMBL8669771

SCHEMBL8669771

COc1cc(Cl)nc(OCc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.48
MAOB P27338 1/20 0.44
PIN1 Q13526 1/20 0.44
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
HTT P42858 1/20 0.41
ELANE P08246 1/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRMT5 O14744 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40

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
SCHEMBL8384805 0.89 PIN1 (0.47) ALDH1A1PIN1CYP2D6CYP2C19PRMT5
SCHEMBL8871300 0.89 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAOBPDGFRBPDGFRA
SCHEMBL8670167 0.85 PIN1 (0.48) SMN1; SMN2MAOBPIN1HTTCYP1A2
SCHEMBL18864590 0.82 MAOB (0.51) ALDH1A1SMN1; SMN2MAOBPDGFRBPDGFRA
SCHEMBL30522847 0.82 MAOB (0.51) ALDH1A1SMN1; SMN2MAOBPDGFRBPDGFRA
SCHEMBL8665281 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2PIN1HTTTSHR
SCHEMBL8669896 0.80 PIN1 (0.40) ALDH1A1PIN1TSHRPRMT5PIK3C3
SCHEMBL8668289 0.80 PPARG (0.41) ALDH1A1MAOBPIN1RXRARXRB
SCHEMBL8668293 0.79 MCL1 (0.39) ALDH1A1MAOBPIN1HTTTSHR
SCHEMBL6639567 0.78 MPO (0.49) SMN1; SMN2MAOBPIN1CYP3A4TSHR

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-5723412-A HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-03-03 US disclosed
US-5599770-A WEED CONTROL; INCLUDING AN ADJUVANT KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-02-04 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
EP-0692477-A1 Herbicidal compositions containing 2-benzyloxypyrimidine derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-01-17 EP disclosed