SCHEMBL11233656

SCHEMBL11233656

CC(C)(C)CC(C)(C)c1ccc(OS(=O)(=O)c2ccccc2)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 8/20 0.38
ALDH1A1 P00352 8/20 0.38
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
MAPT P10636 5/20 0.38
HPGD P15428 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSD11B1 P28845 1/20 0.38
HSD17B3 P37058 1/20 0.38
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL11236764 0.93 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11237184 0.91 HTT (0.40) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
Benzene SCHEMBL9190034 0.88 NPC1 (0.41) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1620086 0.87 KDM4E (0.39) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11233663 0.86 CNR1 (0.39) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11236765 0.80 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11234227 0.80 NPC1 (0.59) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6103632 0.79 PPARG (0.31) PPARGPPARA
SCHEMBL11237186 0.78 CNR2 (0.40) KDM4ESMN1; SMN2TDP1L3MBTL1POLB
SCHEMBL4253904 0.77 NPC1 (0.50) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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
US-4344830-A WEATHERPROOFING GENERAL ELECTRIC COMPANY (US) 1982-08-17 US disclosed