SCHEMBL22942012

SCHEMBL22942012

CC#Cc1cc(C)c(C2C(=O)CC3(CCC(C(=O)NC(=O)c4ccccn4)CC3)CC2=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
GRM4 Q14833 3/20 0.36
CRBN Q96SW2 1/20 0.33
GAA P10253 4/20 0.33
GRM5 P41594 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL22941557 0.89 EGFR (0.39) RAB9ANPC1SMN1; SMN2PKMLMNA
SCHEMBL22941982 0.88 SMYD3 (0.43) RAB9ANPC1SMN1; SMN2PKMLMNA
SCHEMBL22942017 0.87 NPC1 (0.41) RAB9ANPC1SMN1; SMN2PKMLMNA
SCHEMBL22955543 0.86 RAB9A (0.41) RAB9ANPC1SMN1; SMN2PKMLMNA
SCHEMBL22942059 0.85 RAB9A (0.35) RAB9ANPC1SMN1; SMN2PKMLMNA
SCHEMBL24120293 0.83 RAB9A (0.38) RAB9ANPC1SMN1; SMN2PKMLMNA
SCHEMBL21344636 0.80 L3MBTL1 (0.44) SMN1; SMN2ALDH1A1GAA
SCHEMBL22941569 0.80
SCHEMBL22992067 0.80 GRM4 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1GRM4
SCHEMBL22941978 0.79 JAK2 (0.34)

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-2021018834-A1 CYCLIC DIONES AS HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-02-04 WO disclosed