SCHEMBL28099592

SCHEMBL28099592

Cc1cc(C)n(-c2cccc(C[C]=O)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.47
KMT2A Q03164 1/20 0.46
MAPT P10636 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ADORA2A P29274 1/20 0.41
KAT6A Q92794 1/20 0.41
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALPG P10696 1/20 0.40
HPGD P15428 1/20 0.40
NAMPT P43490 1/20 0.39
RAB9A P51151 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
SCHEMBL17518823 0.81 MPO (0.51) MPOKMT2AMAPTL3MBTL1TDP1
SCHEMBL30474518 0.80 KMT2A (0.55) MPOKMT2AMAPTL3MBTL1TDP1
SCHEMBL28699689 0.80 KMT2A (0.55) MPOKMT2AMAPTL3MBTL1TDP1
SCHEMBL12844296 0.79 MPO (0.49) MPOKMT2AMAPTL3MBTL1TDP1
SCHEMBL16115868 0.78 L3MBTL1 (0.53) MPOKMT2AMAPTL3MBTL1TDP1
SCHEMBL12775844 0.78 MPO (0.48) MPOKMT2AMAPTL3MBTL1TDP1
SCHEMBL3160394 0.77 MAPT (0.45) KMT2AMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL19902885 0.75 KMT2A (0.54) MPOKMT2AMAPTL3MBTL1TDP1
SCHEMBL16140804 0.75 MAPT (0.50) MPOKMT2AMAPTL3MBTL1TDP1
SCHEMBL16726987 0.75 MAPT (0.47) MPOKMT2AMAPTL3MBTL1TDP1

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
CN-105189499-B naphthyridine derivatives useful as avbeta6 integrin antagonists 葛兰素史克知识产权开发有限公司 2016-09-28 CN disclosed