SCHEMBL6770764

SCHEMBL6770764

[c]1nc2ccccc2cc1-c1cccc2nonc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAPK1 P28482 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 2/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
ACHE P22303 1/20 0.32
POLB P06746 1/20 0.32
GFER P55789 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL2447211 0.78 KDM4E (0.44) KMT2AMEN1L3MBTL1TDP1ALDH1A1
SCHEMBL2187375 0.76 KMT2A (0.42) KMT2AMEN1L3MBTL1MAPK1TDP1
SCHEMBL4722008 0.74 ALDH1A1 (0.39) KMT2AMEN1L3MBTL1MAPK1ALDH1A1
SCHEMBL13836388 0.73 KMT2A (0.48) KMT2AMEN1L3MBTL1MAPK1TDP1
SCHEMBL3140391 0.72 KMT2A (0.44) KMT2AMEN1L3MBTL1MAPK1TDP1
SCHEMBL11904484 0.70 CYP2A6 (0.39) KMT2AMEN1MAPK1TDP1ALDH1A1
SCHEMBL577790 0.70 ALDH1A1 (0.51) KMT2AMEN1MAPK1TDP1ALDH1A1
SCHEMBL4724198 0.70 TLR8 (0.49) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL17197377 0.69 ALDH1A1 (0.47) KMT2AMEN1L3MBTL1MAPK1TDP1
SCHEMBL628270 0.69 ALDH1A1 (0.43) KMT2AMEN1L3MBTL1TDP1ALDH1A1

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-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed