SCHEMBL9700610

SCHEMBL9700610

O=C1c2ccccc2C2(c3ccncc3)SCCCN12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HSD11B1 P28845 1/20 0.35
KCNQ2 O43526 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.33
CHRM5 P08912 4/20 0.33
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
XBP1 P17861 1/20 0.32
RAB9A P51151 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
SCHEMBL9216390 0.92 RXFP1 (0.41) RXFP1NPC1POLBHTTSMN1; SMN2
SCHEMBL9201756 0.89 NPC1 (0.48) NPC1POLBHTTSMN1; SMN2MEN1
SCHEMBL9701782 0.86 POLB (0.39) RXFP1NPC1POLBHTTSMN1; SMN2
SCHEMBL9203715 0.85 CHRM5 (0.44) NPC1POLBHTTSMN1; SMN2CYP1A2
SCHEMBL9700664 0.83 NPC1 (0.33) RXFP1NPC1POLBHTTSMN1; SMN2
SCHEMBL9700365 0.81 POLB (0.40) NPC1POLBHTTSMN1; SMN2MEN1
SCHEMBL9700566 0.81 HSD11B1 (0.36) NPC1POLBHTTSMN1; SMN2HSD11B1
SCHEMBL9273002 0.81 PARP1 (0.41) NPC1POLBHTTSMN1; SMN2MEN1
SCHEMBL9222286 0.81 NPC1 (0.50) RXFP1NPC1POLBHTTSMN1; SMN2
SCHEMBL9123045 0.81 NPC1 (0.50) RXFP1NPC1POLBHTTSMN1; 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