SCHEMBL9700477

SCHEMBL9700477

O=C1c2ccccc2C2(c3c[nH]c4ccccc34)SCCCN12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.42
MGAM O43451 4/20 0.42
SI P14410 4/20 0.42
MGAM2 Q2M2H8 4/20 0.42
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.36
SIRT1 Q96EB6 1/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKD3 O94806 1/20 0.35
CCNB2 O95067 1/20 0.35

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
SCHEMBL9216549 0.93 GAA (0.41) GAAMGAMSIMGAM2HTR1A
SCHEMBL9199100 0.82 PARP1 (0.36) KDM4ENPC1MAPTPOLBMEN1
SCHEMBL9195253 0.81 SLC6A3 (0.38) KDM4ENPC1MAPTPOLBMEN1
SCHEMBL9201756 0.80 NPC1 (0.48) KDM4ENPC1MAPTPOLBMEN1
SCHEMBL9268715 0.79 BRD4 (0.35) NPC1POLB
SCHEMBL9700348 0.79 CES1 (0.36) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL9740469 0.78 GAA (0.43) GAAMGAMSIMGAM2HTR2A
SCHEMBL9701779 0.78 NPC1 (0.34) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL9700390 0.76 NPC1 (0.35) NPC1POLBMEN1RAB9AKMT2A
SCHEMBL9203715 0.76 CHRM5 (0.44) NPC1MAPTPOLB

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
WO-1992015310-A1 USE OF TRICYCLIC ISOINDOLINONES AS ANTIVIRAL DRUGS, AND NEW, OPTICALLY ACTIVE ISOINDOLINONES BOEHRINGER MANNHEIM GMBH (DE) 1992-09-17 WO disclosed