SCHEMBL22720281

SCHEMBL22720281

C=C1CCN(C2CN(C(=O)OC(C)(C)C)C2)C1=C=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.39
PIK3R1 P27986 2/20 0.38
PIK3CA P42336 2/20 0.38
NR1H2 P55055 2/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN9A Q15858 1/20 0.35
HPGD P15428 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
ESR2 Q92731 1/20 0.34
USP30 Q70CQ3 2/20 0.33
RECQL P46063 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
SCHEMBL22720220 0.86 USP30 (0.40) FPR2USP2SMN1; SMN2DDB1CRBN
SCHEMBL22724565 0.83 FPR2 (0.43) FPR2PIK3R1PIK3CANR1H2USP2
SCHEMBL22720302 0.76 FPR2 (0.40) FPR2PIK3R1PIK3CANR1H2USP2
SCHEMBL22999816 0.75 FPR2 (0.43) FPR2PIK3R1PIK3CANR1H2USP2
SCHEMBL17188206 0.74 USP30 (0.46) FPR2PIK3R1PIK3CAMAPTHPGD
SCHEMBL31257362 0.74 USP30 (0.46) FPR2PIK3R1PIK3CAMAPTHPGD
SCHEMBL30963379 0.72 DDB1 (0.51) FPR2PIK3R1PIK3CANR1H2USP2
SCHEMBL2674657 0.71 FPR2 (0.44) FPR2NR1H2USP2SMN1; SMN2DDB1
SCHEMBL22720469 0.71 TP53 (0.53) FPR2USP2SMN1; SMN2DDB1CRBN
SCHEMBL22720311 0.71 FPR2 (0.42) FPR2NR1H2USP2SMN1; SMN2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113396147-B Aromatic heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-06-18 CN disclosed
CN-113396147-A Aromatic heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-09-14 CN disclosed
WO-2020239123-A1 AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-03 WO disclosed