SCHEMBL8775835

SCHEMBL8775835

O=Cc1cccc(OC(c2ccccc2)c2cccnc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL8775901 0.78 ALDH1A1 (0.47) MAOBALDH1A1SMN1; SMN2CYP1A1CYP1A2
SCHEMBL8775896 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL27662708 0.75 CFTR (0.43) MAOAMAOBSLC6A2SLC6A4SLC6A3
SCHEMBL30218733 0.74 LMNA (0.68) MAOAMAOBALDH1A1SMN1; SMN2CYP1A1
SCHEMBL2531633 0.74 LMNA (0.68) MAOAMAOBALDH1A1SMN1; SMN2CYP1A1
SCHEMBL8775947 0.73 MAPK1 (0.47) SLC6A2SLC6A4SMN1; SMN2LMNAMAPT
SCHEMBL7284897 0.73 MAOA (0.50) MAOAMAOBALDH1A1SRC
SCHEMBL8775748 0.72 ALOX5 (0.63) ALDH1A1KCNA5HTT
SCHEMBL27748512 0.72 CFTR (0.52) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL8775843 0.72 SLC6A2 (0.46) MAOAMAOBSLC6A2SLC6A4SLC6A3

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
EP-0807626-A1 N-HYDROXYUREA DERIVATIVES Nikken Chemicals Company, Limited (JP) 1997-11-19 EP disclosed