SCHEMBL13768698

SCHEMBL13768698

O=[N+]([O-])c1ccccc1COCCN(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LIN28A Q9H9Z2 1/20 0.49
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HTT P42858 2/20 0.40
MAOB P27338 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.38
SLC1A5 Q15758 1/20 0.38
RECQL P46063 1/20 0.38
MET P08581 1/20 0.37
MGMT P16455 1/20 0.37

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
SCHEMBL13768806 0.75 MAPT (0.62) ALDH1A1KDM4ETDP1MAPTSMN1; SMN2
SCHEMBL5052618 0.74 MAPT (0.49) ALDH1A1KDM4ETDP1MAPTSMN1; SMN2
SCHEMBL460266 0.73 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL77922 0.72 ALDH1A1 (0.62) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL12977564 0.72 TDP1 (0.66) ALDH1A1KDM4ETDP1MAPTSMN1; SMN2
SCHEMBL5048659 0.72 PKM (0.54) ALDH1A1KDM4ETDP1MAPTSMN1; SMN2
SCHEMBL5050885 0.71 RAB9A (0.44) ALDH1A1KDM4ETDP1MAPTSMN1; SMN2
SCHEMBL13768808 0.71 MAPT (0.64) TDP1MAPTSMN1; SMN2LIN28AKMT2A
SCHEMBL8342103 0.71 KMT2A (0.54) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL16520164 0.70 ALDH1A1 (0.51) ALDH1A1TDP1KMT2ANPC1RAB9A

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
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO disclosed