SCHEMBL15219082

SCHEMBL15219082

CC(C)(C(=O)Nc1cnc2ccccc2c1)[S+]([O-])CC1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
CNR2 P34972 4/20 0.48
CNR1 P21554 3/20 0.48
TRPV1 Q8NER1 9/20 0.46
MAPT P10636 1/20 0.43
KDR P35968 1/20 0.42
SCN9A Q15858 1/20 0.42
NOTUM Q6P988 1/20 0.42

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
SCHEMBL1619672 0.80 CNR2 (0.56) HSD17B10KDM4ENPC1SMN1; SMN2POLB
SCHEMBL15219117 0.78 RAB9A (0.47) KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL16358727 0.78 KDM4E (0.46) HSD17B10KDM4ENPC1SMN1; SMN2POLB
SCHEMBL16358728 0.76 CNR2 (0.45) NPC1SMN1; SMN2RAB9ALMNACNR2
SCHEMBL4011979 0.75 TRPV1 (0.52) HSD17B10KDM4ENPC1SMN1; SMN2POLB
SCHEMBL16358862 0.73 RORC (0.44)
SCHEMBL15219108 0.73 RORC (0.44)
SCHEMBL8115181 0.72 TRPV1 (0.65) HSD17B10KDM4ENPC1SMN1; SMN2POLB
SCHEMBL15219079 0.72 GCK (0.54) KDM4ENPC1SMN1; SMN2RAB9ALMNA
SCHEMBL15219101 0.71 CSF1R (0.34) POLBCNR2MAPT

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
EP-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP disclosed