SCHEMBL23933229

SCHEMBL23933229

C[C](C)c1ccc2c(c1)CNC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.51
PRF1 P14222 1/20 0.49
CLK4 Q9HAZ1 3/20 0.49
GSK3B P49841 2/20 0.49
DAPK3 O43293 1/20 0.49
NTRK1 P04629 1/20 0.49
PIM1 P11309 1/20 0.49
FLT3 P36888 1/20 0.49
ROCK1 Q13464 1/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
GRM5 P41594 4/20 0.47
PARP10 Q53GL7 3/20 0.45
PARP11 Q9NR21 3/20 0.45
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
MKNK1 Q9BUB5 2/20 0.41
BRAF P15056 1/20 0.41
PRKCI P41743 1/20 0.40

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
SCHEMBL14683952 0.88 NPC1 (0.58) SMYD3PRF1CLK4GSK3BDAPK3
SCHEMBL14639939 0.86 SMYD3 (0.49) SMYD3PRF1CLK4GSK3BDAPK3
SCHEMBL14332678 0.82 SMYD3 (0.58) SMYD3PRF1CLK4GSK3BDAPK3
SCHEMBL19691136 0.81 PRF1 (0.66) SMYD3PRF1CLK4GSK3BDAPK3
SCHEMBL29544439 0.81 PRF1 (0.66) SMYD3PRF1CLK4GSK3BDAPK3
SCHEMBL24812335 0.80 SMYD3 (0.50) SMYD3PRF1CLK4GSK3BDAPK3
SCHEMBL25139737 0.80 SMYD3 (0.50) SMYD3PRF1CLK4GSK3BDAPK3
SCHEMBL4611577 0.80 SMYD3 (0.53) SMYD3PRF1CLK4GSK3BDAPK3
SCHEMBL15759502 0.80 SMYD3 (0.60) SMYD3PRF1CLK4GSK3BDAPK3
SCHEMBL31098601 0.80 SMYD3 (0.53) SMYD3PRF1CLK4GSK3BDAPK3

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-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed