SCHEMBL11236765

SCHEMBL11236765

CCCCCC(C)(C)c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 4/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR2 P34972 7/20 0.37
CNR1 P21554 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD11B1 P28845 1/20 0.35
HSD17B3 P37058 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
SCHEMBL11233663 0.93 CNR1 (0.39) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11237186 0.91 CNR2 (0.40) KDM4ESMN1; SMN2POLBMEN1LMNA
SCHEMBL11236764 0.87 KDM4E (0.45) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11238393 0.80 NPC1 (0.59) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11233656 0.80 KDM4E (0.39) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11237184 0.78 HTT (0.40) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7186178 0.76 KDM4E (0.40) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11234227 0.76 NPC1 (0.59) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4649274 0.76 NPC1 (0.47) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11541710 0.75 NPC1 (0.43) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1

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