SCHEMBL22904247

SCHEMBL22904247

COC(=O)c1ccc(N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
GRM2 Q14416 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
PIM1 P11309 1/20 0.43
GAA P10253 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 1/20 0.42
MMP2 P08253 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
SCHEMBL22904386 0.80 CHRNA7 (0.42) ALDH1A1HTTCA12CA1CA2
SCHEMBL64018 0.79 ALDH1A1 (0.57) ALDH1A1L3MBTL1GRM2SMN1; SMN2NPC1
SCHEMBL2953402 0.78 ALDH1A1 (0.56) ALDH1A1GRM2SMN1; SMN2NPC1RAB9A
SCHEMBL22904242 0.77 SMYD3 (0.54) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL25141591 0.76 ALDH1A1 (0.54) ALDH1A1GRM2SMN1; SMN2NPC1RAB9A
SCHEMBL26648212 0.76 ALDH1A1 (0.57) ALDH1A1GRM2SMN1; SMN2LMNANPC1
SCHEMBL10861127 0.76 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL22904385 0.74 KMT2A (0.53) ALDH1A1L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL2948394 0.74 L3MBTL1 (0.64) ALDH1A1L3MBTL1SMN1; SMN2PKMNPC1
SCHEMBL28884226 0.73 ALDH1A1 (0.58) ALDH1A1GRM2SMN1; SMN2NPC1RAB9A

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-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed