SCHEMBL9213340

SCHEMBL9213340

O=C1c2ccccc2C2(c3ccnc4ccccc34)SCCN12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
PTK2B Q14289 2/20 0.36
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
NCF1 P14598 2/20 0.33
ADRB2 P07550 1/20 0.33
AR P10275 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HIF1A Q16665 1/20 0.32
PABPC1 P11940 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRM5 P08912 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
SCHEMBL9701851 0.87 TSHR (0.37) NPC1MAPTSMN1; SMN2TP53RAB9A
SCHEMBL6362219 0.81 SLC6A3 (0.40) NPC1MAPTSMN1; SMN2RAB9APOLB
SCHEMBL6362220 0.81 SLC6A3 (0.40) NPC1MAPTSMN1; SMN2RAB9APOLB
SCHEMBL9205832 0.79 MEN1 (0.36) NPC1MAPTSMN1; SMN2POLBCYP3A4
SCHEMBL9206714 0.78 HSD11B1 (0.38) NPC1MAPTSMN1; SMN2POLBTSHR
SCHEMBL9215403 0.77 TDP1 (0.36) NPC1SMN1; SMN2TP53POLBTSHR
SCHEMBL9214646 0.77 POLB (0.35) NPC1SMN1; SMN2POLBHTT
SCHEMBL9216390 0.76 RXFP1 (0.41) NPC1MAPTSMN1; SMN2RAB9APOLB
SCHEMBL9214982 0.76 NPC1 (0.39) NPC1MAPTSMN1; SMN2RAB9APOLB
SCHEMBL9216719 0.76 NPC1 (0.35) NPC1MAPTSMN1; SMN2POLBHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569457-B1 USE OF THIAZOLO-[2,3-A]ISOINDOLE DERIVATIVES AS ANTIVIRAL MEDICAMENTS AND NOVEL THIAZOLO- [2,3-A]ISOINDOLE DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1995-06-14 EP disclosed
EP-0569457-A1 USE OF THIAZOLO- 2,3-A]ISOINDOLE DERIVATIVES AS ANTIVIRAL MEDICAMENTS AND NOVEL THIAZOLO- 2,3-A]ISOINDOLE DERIVATIVES. BOEHRINGER MANNHEIM GMBH (DE) 1993-11-18 EP disclosed
WO-1992013863-A1 USE OF THIAZOLO-[2,3-A]ISOINDOLE DERIVATIVES AS ANTIVIRAL MEDICAMENTS AND NOVEL THIAZOLO-[2,3-A]ISOINDOLE DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1992-08-20 WO disclosed