SCHEMBL31184416

SCHEMBL31184416

CC(C)(C)OC(=O)N1CCC2(CCCC2=N[S+]([O-])C(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ GPR119 Q8TDV5 3/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL20337484 1.00 USP2 (0.37) USP2SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL29959213 1.00 USP2 (0.37) USP2SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL18320481 1.00 USP2 (0.37) USP2SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL29366691 0.93 USP2 (0.38) USP2SMN1; SMN2HPGDUSP30MAPT
SCHEMBL31336522 0.93 USP2 (0.38) USP2SMN1; SMN2HPGDUSP30MAPT
SCHEMBL18320482 0.88 ESR2 (0.34) USP2SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL31566827 0.86 USP30 (0.41) USP2SMN1; SMN2USP30HDAC1HDAC8
SCHEMBL30577842 0.79 CHRM2 (0.35) USP2SMN1; SMN2USP30MAPTKDM4E
SCHEMBL19641205 0.79 USP2 (0.37) USP2SMN1; SMN2USP30HRH3MAPT
SCHEMBL19641204 0.79 USP2 (0.37) USP2SMN1; SMN2USP30HRH3MAPT

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
CN-112625028-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2024-10-29 — — CN disclosed
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