SCHEMBL9700348

SCHEMBL9700348

O=C1c2ccccc2C2(c3c4ccccc4cc4ccccc34)SCCCN12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.36
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
PARP1 P09874 4/20 0.33
CHRM5 P08912 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PRKDC P78527 2/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9217152 0.93 CES1 (0.38) CES1NPC1POLBPARP1CHRM5
SCHEMBL9701779 0.89 NPC1 (0.34) CES1NPC1POLBPARP1CHRM5
SCHEMBL9195253 0.88 SLC6A3 (0.38) NPC1POLBPARP1MEN1KMT2A
SCHEMBL9701475 0.81 MDM2 (0.36) CHRM5MEN1KMT2AHTTLMNA
SCHEMBL9699420 0.81 SLC6A2 (0.40) NPC1POLBCHRM5MEN1KMT2A
SCHEMBL6362219 0.80 SLC6A3 (0.40) NPC1POLBPARP1MEN1KMT2A
SCHEMBL6362220 0.80 SLC6A3 (0.40) NPC1POLBPARP1MEN1KMT2A
SCHEMBL9201756 0.79 NPC1 (0.48) NPC1POLBCHRM5MEN1KMT2A
SCHEMBL9213786 0.79 NPC1 (0.35) CES1NPC1POLBPARP1CHRM5
SCHEMBL9700477 0.79 GAA (0.42) NPC1POLBMEN1KMT2AMAPT

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