SCHEMBL10147491

SCHEMBL10147491

CC(C)(C)c1cc(-c2nnc(C(C)(C)Sc3ccc(Cl)cc3)o2)no1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
CNR2 P34972 6/20 0.36
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 1/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 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
SCHEMBL10147510 0.88 BRD4 (0.53) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL10146103 0.77 BRD4 (0.55) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL352017 0.77 CNR2 (0.52) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL13618718 0.74 BRD4 (0.51) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL10147542 0.72 MAPK13 (0.37) CNR2MAPT
SCHEMBL19625484 0.70 MEN1 (0.69) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL20291059 0.69 BRD4 (1.00) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL20291195 0.67 BRD4 (0.50) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL10147579 0.67 NPC1 (0.33) BRD4NPC1RAB9A
SCHEMBL352100 0.65 BRD4 (0.48) BRD4MEN1KMT2ANPC1RAB9A

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