SCHEMBL8722110

SCHEMBL8722110

O=C(Cc1ccccc1Cc1ccccc1)Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.68
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 3/20 0.54
HTT P42858 1/20 0.54
BCL2 P10415 1/20 0.54
LMNA P02545 1/20 0.53
PRMT1 Q99873 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 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
SCHEMBL28453476 0.84 HDAC8 (0.68) KMT2AMEN1
SCHEMBL1516167 0.81 EPHX2 (1.00) EPHX2KMT2AMEN1MAPTHTT
SCHEMBL5623718 0.81 CYP1A2 (0.65) EPHX2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28762298 0.81 CA12 (0.70) EPHX2CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL27735879 0.80 EPHX2 (0.96) EPHX2KMT2AMEN1MAPTHTT
SCHEMBL4433537 0.79 CYP1A2 (0.67) EPHX2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5175200 0.79 EPHX2 (0.79) EPHX2KMT2AMEN1MAPTPRMT1
SCHEMBL5582937 0.78 BCHE (0.55) EPHX2KMT2AMEN1MAPTPRMT1
SCHEMBL7289139 0.78 EPHX2 (0.60) EPHX2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10054999 0.77 EPHX2 (0.92) EPHX2KMT2AMEN1MAPTPRMT1

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-0745154-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1998-09-16 EP claimed