SCHEMBL3551960

SCHEMBL3551960

CC(C)(C)n1sc(-c2ccccc2)c(NCc2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
BRD9 Q9H8M2 2/20 0.39
KAT2B Q92831 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.37
XDH P47989 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
GAA P10253 2/20 0.35
MAPKAPK2 P49137 1/20 0.35
GLA P06280 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL17844110 0.84 MAOA (0.40) KMT2AMEN1L3MBTL1POLB
SCHEMBL5184298 0.82 CA12 (0.33) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL17844227 0.81 POLB (0.39) HPGDALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL17844175 0.80 CA12 (0.38) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL17844206 0.79 NPC1 (0.41) RECQLMAPT
SCHEMBL3653144 0.79 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL5185824 0.78 NPBWR1 (0.43) BRD4BRD9KAT2BHPGDALDH1A1
SCHEMBL17844088 0.78 KDM4E (0.40) HPGDALDH1A1RECQLHSD17B10SMN1; SMN2
SCHEMBL17844119 0.78 TAAR1 (0.40) HPGDALDH1A1KMT2AKDM4EMEN1
SCHEMBL5186011 0.75 ALDH1A1 (0.48) BRD4BRD9KAT2BHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US claimed
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed