SCHEMBL27768444

SCHEMBL27768444

O=C(O)C1Cc2c(CCNc3ccccc3)cccc2N1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.34
MAN1B1 Q9UKM7 1/20 0.33
DRD2 P14416 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
SCHEMBL27790157 0.87 GAA (0.49) GAAMAPTMEN1CYP1A2CYP3A4
SCHEMBL27768522 0.80 MAPT (0.49) GAAMAPTKMT2A
Benzene SCHEMBL27768525 0.78 GAA (0.47) GAAMAPT
SCHEMBL27768438 0.78 MAPT (0.53) GAAMAPT
SCHEMBL12629105 0.78 MAPT (0.47) GAAMAPTL3MBTL1MEN1KMT2A
SCHEMBL27790055 0.77 MAPT (0.46) GAAMAPTL3MBTL1MEN1CYP1A2
SCHEMBL27768464 0.75 MAPT (0.53) GAAMAPTMEN1CYP1A2CYP3A4
Aniline SCHEMBL27768445 0.74 GAA (0.49) GAAMAPT
SCHEMBL27768506 0.74 GAA (0.49) GAAMAPTDRD2
SCHEMBL4999605 0.72 GAA (0.56) GAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed