SCHEMBL14960427

SCHEMBL14960427

CC(C)(S)C(=O)Nc1cc(-c2ccccc2)no1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.56
RAB9A P51151 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 2/20 0.55
MAPT P10636 8/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
TP53 P04637 4/20 0.50
THRB P10828 1/20 0.47
ADORA1 P30542 1/20 0.46
OTUD7B Q6GQQ9 2/20 0.44
USP30 Q70CQ3 1/20 0.44

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
SCHEMBL16253024 0.89 RORC (0.59) RORCRAB9AMEN1KMT2ANPC1
SCHEMBL10802219 0.81 RORC (0.63) RORCRAB9AMEN1KMT2ANPC1
SCHEMBL3772532 0.81 RORC (0.66) RORCRAB9AMEN1KMT2ANPC1
SCHEMBL13901729 0.77 MEN1 (0.82) RORCRAB9AMEN1KMT2ANPC1
SCHEMBL1464918 0.76 CNR2 (0.59) RORCRAB9AMEN1KMT2ANPC1
SCHEMBL3775573 0.76 RORC (0.47) RORCRAB9AMEN1KMT2ANPC1
SCHEMBL223464 0.75 MAPT (0.62) RORCRAB9AMEN1KMT2ANPC1
SCHEMBL13962761 0.74 MEN1 (0.72) RORCRAB9AMEN1KMT2ANPC1
SCHEMBL13901757 0.74 SMN1; SMN2 (0.66) RORCRAB9AMEN1KMT2ANPC1
SCHEMBL13901730 0.74 NPC1 (0.90) RORCRAB9AMEN1KMT2ANPC1

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-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed