SCHEMBL10147504

SCHEMBL10147504

CC(C)(C)c1noc(C(C)(C)Sc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
PPARA Q07869 1/20 0.32
MAPK14 Q16539 1/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
HAO1 Q9UJM8 1/20 0.31
S1PR1 P21453 2/20 0.30
TRPV1 Q8NER1 1/20 0.30
FBP1 P09467 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL10147512 0.76 KMT2A (0.41) LMNAPOLBKDM4ENPC1RAB9A
SCHEMBL352789 0.72 CNR2 (0.46) MAPK14POLBKDM4ECNR1CNR2
SCHEMBL13475364 0.72 PIK3CG (0.40) CNR2
SCHEMBL77091 0.71 LMNA (0.59) LMNATHRBPOLBKDM4ENPC1
SCHEMBL25489131 0.69 PIK3CG (0.40) CNR2
SCHEMBL351166 0.67 CNR2 (0.46) MAPK14POLBKDM4ECNR1CNR2
SCHEMBL5340454 0.66 AR (0.46) KDM4EHAO1TRPV1FBP1
SCHEMBL78067 0.66 PIK3CG (0.43) LMNAKDM4ECNR2
SCHEMBL18468385 0.65 CNR2 (0.37) LMNAKDM4ECNR2
SCHEMBL13299827 0.64 ALDH1A1 (0.50) NPC1RAB9A

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-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed