SCHEMBL11533902

SCHEMBL11533902

COc1ccc2[nH]c3c(c2c1)CCS(=O)(=O)CCC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.55
HSD17B10 Q99714 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
ALOX15 P16050 2/20 0.55
THRB P10828 2/20 0.55
TSHR P16473 2/20 0.55
NFKB1 P19838 1/20 0.55
RECQL P46063 1/20 0.55
PMP22 Q01453 1/20 0.55
USP2 O75604 1/20 0.55
CYP2C9 P11712 1/20 0.55
KDR P35968 2/20 0.55
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
BAZ2B Q9UIF8 1/20 0.51
DRD2 P14416 1/20 0.50
DRD1 P21728 1/20 0.50
DRD5 P21918 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL4553103 0.84 HSD17B10 (0.57) LMNAHSD17B10CYP1A2CYP2D6ALOX15
SCHEMBL4279959 0.83 LMNA (0.67) LMNAHSD17B10CYP1A2CYP2D6ALOX15
SCHEMBL4286367 0.83 LMNA (0.67) LMNAHSD17B10CYP1A2CYP2D6ALOX15
Calcium SCHEMBL29917796 0.82 LMNA (0.65) LMNAHSD17B10CYP1A2CYP2D6ALOX15
SCHEMBL11533335 0.80 MAPT (0.68) LMNAHSD17B10USP2BAZ2BMAPT
SCHEMBL11530996 0.76 KDM4E (0.54) HSD17B10CYP1A2CYP2D6PMP22CYP2C9
SCHEMBL11530731 0.76 LMNA (0.58) LMNAHSD17B10CYP1A2CYP2D6ALOX15
SCHEMBL12284690 0.76 HSD17B10 (0.63) LMNAHSD17B10CYP1A2CYP2D6ALOX15
SCHEMBL2970063 0.75 HSD17B10 (0.81) LMNAHSD17B10CYP1A2CYP2D6ALOX15
SCHEMBL12868547 0.74 HSD17B10 (0.58) LMNAHSD17B10CYP1A2CYP2D6ALOX15

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