SCHEMBL19902885

SCHEMBL19902885

C=C(O)Cc1cccc(-n2nc(C)cc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MPO P05164 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.42
PTGS2 P35354 1/20 0.41
HTT P42858 3/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 3/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL16115868 0.86 L3MBTL1 (0.53) KMT2AMAPTL3MBTL1TDP1MPO
SCHEMBL16140804 0.82 MAPT (0.50) KMT2AMAPTL3MBTL1TDP1MPO
SCHEMBL28699689 0.82 KMT2A (0.55) KMT2AMAPTL3MBTL1TDP1MPO
SCHEMBL30474518 0.82 KMT2A (0.55) KMT2AMAPTL3MBTL1TDP1MPO
SCHEMBL17518823 0.80 MPO (0.51) KMT2AMAPTL3MBTL1TDP1MPO
SCHEMBL12844296 0.78 MPO (0.49) KMT2AMAPTL3MBTL1TDP1MPO
SCHEMBL16140868 0.78 L3MBTL1 (0.48) KMT2AMAPTL3MBTL1TDP1MPO
SCHEMBL12775844 0.77 MPO (0.48) KMT2AMAPTL3MBTL1TDP1MPO
SCHEMBL28099592 0.75 MPO (0.47) KMT2AMAPTL3MBTL1TDP1MPO
SCHEMBL11841355 0.75 MAPT (0.53) KMT2AMAPTL3MBTL1TDP1ALDH1A1

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-2989100-B1 NAPHTHYRIDINE DERIVATIVES USEFUL AS ALPHA-V-BETA-6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-02-28 EP disclosed