SCHEMBL19980192

SCHEMBL19980192

C=C(/C=C(/Cc1ccc(C)cc1)NC)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPK8 P45983 1/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.37
CNR2 P34972 1/20 0.37
MAPT P10636 1/20 0.36
CTBP2 P56545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL20344668 0.87 CES2 (0.39) KMT2AMEN1L3MBTL1HPGDCNR2
SCHEMBL23189256 0.83 HPGD (0.42) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL22710318 0.73 CES1 (0.40) KMT2AMEN1ALDH1A1L3MBTL1HPGD
SCHEMBL10880029 0.72 CTBP2 (0.46) RAB9ANPC1KMT2AL3MBTL1MAPK8
SCHEMBL658518 0.69 CA2 (0.67) RAB9ANPC1ALDH1A1L3MBTL1MAPK8
SCHEMBL171860 0.68 HPGD (0.59) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL22059363 0.68 HPGD (0.42) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL24386036 0.67 IDO1 (0.47) RAB9ANPC1L3MBTL1MAPK8HPGD
SCHEMBL19980208 0.66 ALDH1A1 (0.40) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL20344509 0.65 CES1 (0.45) KMT2AMEN1ALDH1A1L3MBTL1LMNA

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-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed