SCHEMBL20060315

SCHEMBL20060315

C=C1c2ccccc2CN1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.45
ACHE P22303 1/20 0.44
MAPT P10636 2/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PARP1 P09874 1/20 0.41
PREP P48147 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL8352189 0.85 MEN1 (0.51) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL1466305 0.79 KMT2A (0.60) ACHEMAPTDRD3MEN1KMT2A
SCHEMBL18176034 0.79 NR3C1 (0.58) NR3C1ACHEMAPTDRD3KCNH2
SCHEMBL29630944 0.79 KMT2A (0.60) ACHEMAPTDRD3MEN1KMT2A
SCHEMBL12157514 0.78 ADRA1D (0.42) MAPTDRD3KMT2AHPGDKDM4E
SCHEMBL18269743 0.75 ADRA1D (0.61) MAPTKMT2AKDM4EALOX15TSHR
SCHEMBL18269742 0.75 ALDH1A1 (0.42) MEN1KMT2AALDH1A1PARP1KDM4E
SCHEMBL28659205 0.74 SIGMAR1 (0.50) MAPTDRD3KCNH2TDP1MEN1
SCHEMBL3660967 0.74 MAPT (0.51) ACHEMAPTDRD3KCNH2TDP1
SCHEMBL11458214 0.73 NR3C1 (0.53) NR3C1ACHEMAPTDRD3KCNH2

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-2499134-B1 OXYGEN SCAVENGERS, COMPOSITION COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING INC (US) 2018-04-18 EP disclosed