SCHEMBL8766476

SCHEMBL8766476

CCCNCCOc1cccc([O])c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
DRD2 P14416 9/20 0.51
DRD4 P21917 9/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
DRD3 P35462 7/20 0.50
HTR1B P28222 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL12177908 0.88 CYP1A2 (0.63) KMT2ADRD2DRD4CYP1A2CYP2D6
SCHEMBL8765681 0.83 KMT2A (0.61) KMT2ADRD2DRD4CYP1A2CYP2D6
SCHEMBL1804312 0.83 KMT2A (0.59) KMT2AKDM4ETSHR
SCHEMBL1805409 0.81 TSHR (0.54) KMT2ACYP1A2CYP2C19TSHR
SCHEMBL8766486 0.81 DRD4 (0.64) KMT2ADRD2DRD4CYP1A2CYP2D6
SCHEMBL7297045 0.80 TSHR (0.62) KMT2ATSHR
SCHEMBL7917299 0.79 DRD4 (0.74) DRD2DRD4DRD3HTR1BGAA
SCHEMBL1665036 0.78 TSHR (0.65) KMT2ATSHR
SCHEMBL9717879 0.78 TSHR (0.65) KMT2ATSHR
SCHEMBL8766568 0.78 TSHR (0.65) KMT2ATSHR

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-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed