SCHEMBL9700664

SCHEMBL9700664

O=C1c2ccccc2C2(c3ccncn3)SCCCN12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
CYP19A1 P11511 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PARP1 P09874 2/20 0.30

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
SCHEMBL9209781 0.93 NPC1 (0.34) NPC1POLBRXFP1CYP19A1HTT
SCHEMBL9700566 0.87 HSD11B1 (0.36) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9700610 0.83 RXFP1 (0.40) NPC1POLBRXFP1HTTSMN1; SMN2
SCHEMBL9699442 0.80 NPC1 (0.34) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9206714 0.79 HSD11B1 (0.38) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9701782 0.78 POLB (0.39) NPC1POLBRXFP1HTTSMN1; SMN2
SCHEMBL9201756 0.77 NPC1 (0.48) NPC1POLBHTTSMN1; SMN2
SCHEMBL9738811 0.77 NPC1 (0.35) NPC1POLBRXFP1CYP19A1HTT
SCHEMBL9216390 0.75 RXFP1 (0.41) NPC1POLBRXFP1HTTSMN1; SMN2
SCHEMBL9701851 0.75 TSHR (0.37) NPC1POLBHTTSMN1; SMN2

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