SCHEMBL2802250

SCHEMBL2802250

Oc1ccccc1C=NNc1nc2ccccc2nc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.64
KDM4E B2RXH2 9/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
HTT P42858 6/20 0.64
LMNA P02545 5/20 0.64
POLB P06746 3/20 0.64
MAPT P10636 8/20 0.55
GAA P10253 5/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.54
MEN1 O00255 8/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 4/20 0.53
GFER P55789 2/20 0.53
RAD52 P43351 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL2800636 0.80 MAPT (0.68) KMT2AKDM4ESMN1; SMN2HTTLMNA
SCHEMBL6715893 0.78 SMN1; SMN2 (1.00) KMT2AKDM4ESMN1; SMN2HTTLMNA
SCHEMBL2800590 0.78 KMT2A (0.60) KMT2AKDM4ESMN1; SMN2HTTLMNA
SCHEMBL15741141 0.77 KDM4E (0.58) KMT2AKDM4ESMN1; SMN2HTTLMNA
SCHEMBL15741142 0.77 KDM4E (0.58) KMT2AKDM4ESMN1; SMN2HTTLMNA
SCHEMBL2800046 0.74 KDM4E (0.60) KMT2AKDM4ESMN1; SMN2HTTLMNA
SCHEMBL13201844 0.74 KDM4E (0.60) KMT2AKDM4ESMN1; SMN2HTTLMNA
Salicyladehyde SCHEMBL2801260 0.73 TRIM24 (0.50) KMT2AKDM4ESMN1; SMN2HTTLMNA
SCHEMBL2800637 0.73 GAA (0.55) KMT2AKDM4ESMN1; SMN2LMNAPOLB
SCHEMBL13201709 0.73 GAA (0.55) KMT2AKDM4ESMN1; SMN2LMNAPOLB

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
US-20100209537-A1 Metal complexes with anticancer activity BANGALORE RAMESH 2010-08-19 US disclosed