SCHEMBL11087448

SCHEMBL11087448

Cc1cccc(CCOc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
KCNH2 Q12809 5/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 5/20 0.48
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 2/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
S1PR4 O95977 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL15173980 0.79 KCNH2 (0.50) KCNH2NPC1SMN1; SMN2
SCHEMBL6793846 0.79 KMT2A (0.62) LMNAKCNH2MEN1KMT2AMAPT
SCHEMBL11079217 0.79 RAB9A (0.50) LMNAKCNH2KMT2AMAPTRAB9A
SCHEMBL8196269 0.78 SMN1; SMN2 (0.48) LMNAKCNH2MEN1KMT2AMAPT
SCHEMBL6489114 0.77 SMN1; SMN2 (0.51) LMNAKCNH2MEN1KMT2AMAPT
SCHEMBL6492317 0.77 LMNA (0.51) LMNAKCNH2MEN1KMT2AMAPT
SCHEMBL10504130 0.77 MEN1 (0.50) LMNAKCNH2MEN1KMT2AMAPT
SCHEMBL8202749 0.76 ALDH1A1 (0.47) LMNAKCNH2MAPTSMN1; SMN2ALDH1A1
SCHEMBL942234 0.76 HTT (0.59) LMNAKCNH2MEN1KMT2AMAPT
SCHEMBL6487610 0.75 MAPT (0.48) LMNAKCNH2MEN1KMT2AMAPT

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-4443246-A Herbicidal pyridyl-ethoxy-phenyl urea derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-04-17 US disclosed
EP-0067718-A1 Urea derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-12-22 EP disclosed