SCHEMBL16720167

SCHEMBL16720167

CN1CCc2ccc(-n3cccc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
NOTUM Q6P988 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
HPGD P15428 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
HTR6 P50406 3/20 0.39
RECQL P46063 2/20 0.38
AVPR2 P30518 2/20 0.38
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 3/20 0.35

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
SCHEMBL16719510 0.86 MAPT (0.41) MAPTALDH1A1TDP1POLBNOTUM
SCHEMBL8340891 0.80 HRH4 (0.41) NOTUMDRD2DRD3HTR6ALOX15
SCHEMBL26683787 0.72 CRBN (0.45) MAPTALDH1A1NOTUMMEN1KMT2A
SCHEMBL3999191 0.72 MAPT (0.44) MAPTALDH1A1POLBNOTUMMEN1
SCHEMBL2625792 0.72 ALDH1A1 (0.50) ALDH1A1NOTUMKMT2AHPGDDRD2
SCHEMBL6784076 0.71 DRD3 (0.39) MAPTNOTUMDRD2DRD3HTR6
SCHEMBL31443460 0.71 CHRM2 (0.45) ALDH1A1NOTUMDRD2NPC1RAB9A
SCHEMBL2625797 0.71 CHRM2 (0.45) ALDH1A1NOTUMDRD2NPC1RAB9A
SCHEMBL21761195 0.71 NOTUM (0.43) MAPTALDH1A1NOTUMMEN1KMT2A
SCHEMBL30334948 0.71 CYP1A2 (0.53) NOTUMCYP1A2CYP2D6NPSR1LMNA

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
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed