SCHEMBL22011476

SCHEMBL22011476

CC(C)c1ccc2c(c1)CC(C(=O)Nc1ccccn1)C2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
BRAF P15056 1/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 3/20 0.44
FFAR2 O15552 1/20 0.44
NPY5R Q15761 3/20 0.43
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GSK3B P49841 1/20 0.42
ANO1 Q5XXA6 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
SCHEMBL22010639 0.84 NPY5R (0.53) POLBSMN1; SMN2RAB9ALMNANPC1
SCHEMBL20020537 0.84 NPY5R (0.53) POLBSMN1; SMN2RAB9ALMNANPC1
SCHEMBL20664267 0.81 NPC1 (0.46) SMN1; SMN2RAB9ALMNANPC1NPY5R
SCHEMBL24982439 0.81 NPC1 (0.46) POLBRAB9ALMNANPC1NPY5R
SCHEMBL22010868 0.81 NPC1 (0.46) POLBRAB9ALMNANPC1NPY5R
SCHEMBL3671286 0.74 HPGD (0.65) SMN1; SMN2RAB9ALMNANPC1PKM
SCHEMBL30355896 0.74 HPGD (0.65) SMN1; SMN2RAB9ALMNANPC1PKM
SCHEMBL22011481 0.73 ANO1 (0.44) POLBRAB9ALMNANPC1PKM
SCHEMBL10199545 0.72 BRAF (0.61) BRAFRAB9ANPC1MEN1KMT2A
SCHEMBL17339950 0.72 RAB9A (0.66) RAB9ALMNANPC1PKMMEN1

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
WO-2020099882-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 WO disclosed