SCHEMBL9196117

SCHEMBL9196117

O=C1c2ccccc2C2(c3ccccc3)OCCCN12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.41
CHRM5 P08912 7/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
CFTR P13569 1/20 0.38
GOPC Q9HD26 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9196127 0.91 NPC1 (0.51) NPC1POLBMEN1KMT2AUSP2
SCHEMBL9700353 0.89 SMN1; SMN2 (0.53) MEN1KMT2ACHRM5SMN1; SMN2HTT
SCHEMBL9701796 0.89 CHRM5 (0.45) NPC1POLBCHRM5MAPTSMN1; SMN2
SCHEMBL9701757 0.89 MAPT (0.45) NPC1POLBMEN1KMT2ACHRM5
SCHEMBL9700630 0.86 CHRM5 (0.47) NPC1CHRM5MAPTKDM4ESMN1; SMN2
SCHEMBL9204008 0.86 LMNA (0.47) NPC1POLBMEN1KMT2AUSP2
SCHEMBL9701775 0.86 TP53 (0.41) NPC1POLBMEN1KMT2ACHRM5
SCHEMBL9199720 0.85 CHRM5 (0.41) NPC1POLBMEN1KMT2ACHRM5
SCHEMBL9196766 0.82 SLC6A2 (0.34) NPC1POLBMEN1KMT2AUSP2
SCHEMBL9204759 0.82 SLC6A3 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682523-A1 USE OF TRICYCLIC ISOINDOLINONES AS ANTIVIRAL DRUGS, AND NEW, OPTICALLY ACTIVE ISOINDOLINONES Roche Diagnostics GmbH (DE) 1995-11-22 EP disclosed
WO-1992015310-A1 USE OF TRICYCLIC ISOINDOLINONES AS ANTIVIRAL DRUGS, AND NEW, OPTICALLY ACTIVE ISOINDOLINONES BOEHRINGER MANNHEIM GMBH (DE) 1992-09-17 WO disclosed