SCHEMBL27480342

SCHEMBL27480342

COC(=O)c1cc2cccc(C(=O)OC(C)(C)C)c2n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MAPK14 Q16539 1/20 0.37
NR1H2 P55055 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7877726 0.79 MAPT (0.45) L3MBTL1MAPTLMNATP53KDM4E
SCHEMBL7880056 0.77 L3MBTL1 (0.50) L3MBTL1MAPTLMNATP53KDM4E
SCHEMBL7879482 0.77 L3MBTL1 (0.50) L3MBTL1MAPTLMNATP53KDM4E
SCHEMBL7881808 0.76 L3MBTL1 (0.49) L3MBTL1MAPTLMNATP53KDM4E
SCHEMBL7884307 0.74 DRD2 (0.45) BRD4
SCHEMBL19013553 0.73 NR1H2 (0.40) L3MBTL1CYP1A2CYP2C19NR1H2
SCHEMBL29631893 0.73 NR1H2 (0.40) L3MBTL1CYP1A2CYP2C19NR1H2
SCHEMBL29631908 0.72 NR1H2 (0.39) L3MBTL1MAPTLMNANR1H2ALDH1A1
SCHEMBL19013604 0.72 NR1H2 (0.39) MAPTCYP1A2PKMCYP2C19MAPK14
SCHEMBL19013556 0.72 NR1H2 (0.39) L3MBTL1MAPTLMNANR1H2ALDH1A1

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-1106800-A Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 1995-08-16 CN disclosed