SCHEMBL27768506

SCHEMBL27768506

O=C(O)C1Cc2c(COc3ccccc3)cccc2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR1A P08908 1/20 0.40
GLA P06280 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
NR4A2 P43354 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 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
SCHEMBL27768438 0.80 MAPT (0.53) GAAMAPTKDM4E
SCHEMBL27768522 0.76 MAPT (0.49) GAAMAPTKDM4ESMN1; SMN2SLC6A3
SCHEMBL12628272 0.76 BRD4 (0.49) GAAMAPTPTGER1PTGER4PTGER3
SCHEMBL27790157 0.76 GAA (0.49) GAAMAPTSMN1; SMN2RAB9A
Aniline SCHEMBL27768445 0.76 GAA (0.49) GAAMAPTKDM4E
Benzene SCHEMBL27768525 0.75 GAA (0.47) GAAMAPT
SCHEMBL27768444 0.74 GAA (0.47) GAAMAPTDRD2
SCHEMBL27790055 0.73 MAPT (0.46) GAAMAPTKDM4ESMN1; SMN2SLC6A4
SCHEMBL7669210 0.73 GAA (0.48) GAAMAPTGLADRD2DRD3
SCHEMBL7669208 0.73 GAA (0.48) GAAMAPTGLADRD2DRD3

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