SCHEMBL11533335

SCHEMBL11533335

O=S1(=O)CCCc2[nH]c3ccc(Br)cc3c2CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
HSD17B10 Q99714 1/20 0.58
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48
BAZ2B Q9UIF8 2/20 0.47
SIRT1 Q96EB6 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GFER P55789 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
F2 P00734 1/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL29966807 0.82 MAPT (1.00) MAPTHSD17B10ALDH1A1LMNAMAPK1
SCHEMBL12647098 0.82 MAPT (1.00) MAPTHSD17B10ALDH1A1LMNAMAPK1
SCHEMBL1053506 0.82 MAPT (0.93) MAPTHSD17B10ALDH1A1LMNAMAPK1
SCHEMBL1613666 0.81 MAPT (0.90) MAPTHSD17B10ALDH1A1LMNAMAPK1
SCHEMBL11533902 0.80 LMNA (0.55) MAPTHSD17B10ALDH1A1LMNABAZ2B
SCHEMBL11530996 0.80 KDM4E (0.54) HSD17B10ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30982079 0.74 HSD17B10 (1.00) MAPTHSD17B10ALDH1A1LMNAMAPK1
SCHEMBL12868471 0.71 MAPT (0.62) MAPTHSD17B10ALDH1A1LMNAMAPK1
SCHEMBL1004931 0.69 MAPT (0.70) MAPTHSD17B10ALDH1A1LMNAMAPK1
SCHEMBL6627508 0.69 MAPT (0.75) MAPTHSD17B10ALDH1A1LMNAMAPK1

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
US-4144349-A N,N-dimethyl-1,2,4,5,6,7-hexahydrothiocino[5,4-b]-indole-7-propanamine-3,3-dioxides and related thiocines WARNER-LAMBERT COMPANY (US) 1979-03-13 US claimed
US-4144349-A N,N-dimethyl-1,2,4,5,6,7-hexahydrothiocino[5,4-b]-indole-7-propanamine-3,3-dioxides and related thiocines WARNER-LAMBERT COMPANY (US) 1979-03-13 US disclosed