SCHEMBL7410880

SCHEMBL7410880

COc1cc2c(cc1OC)C(c1ccccc1)=NN=C(C)C2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.49
MAPK10 P53779 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 1/20 0.46
GRIA2 P42262 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.44
PKM P14618 1/20 0.42
RAD52 P43351 1/20 0.42
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL7605575 0.91 CYP1A2 (0.43) PDGFRBMAPK10CYP1A2CYP3A4CYP2C9
SCHEMBL7436927 0.87 PDE7A (0.46) PDGFRBMAPK10CYP1A2CYP3A4CYP2C9
SCHEMBL15974264 0.86 CHEK1 (0.51) MAPK10CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7439770 0.86 MAPT (0.47) PDGFRBMAPK10CYP1A2CYP3A4CYP2C9
Nerisopam SCHEMBL1004757 0.86 CYP1A2 (0.63) MAPK10CYP1A2CYP3A4CYP2C9CYP2C19
Nerisopam SCHEMBL8349837 0.86 CYP1A2 (0.63) MAPK10CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7442033 0.86 PKM (0.45) PDGFRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7402865 0.86 PDGFRB (0.49) PDGFRBMAPK10CYP1A2CYP3A4CYP2C9
SCHEMBL6420733 0.86 MEN1 (0.52) MAPK10CYP1A2CYP3A4CYP2C9CYP2C19
Girisopam SCHEMBL637118 0.85 MAPK10 (0.62) PDGFRBMAPK10ALDH1A1MAPTMEN1

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
WO-2002088096-A1 COMPOUNDS INHIBITING CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-11-07 WO disclosed
US-4322346-A 5H-2,3-Benzodiazepine derivatives KOROSI JENO 1982-03-30 US disclosed