SCHEMBL29209757

SCHEMBL29209757

Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
ESR2 Q92731 1/20 0.32
JAK2 O60674 2/20 0.32
BTK Q06187 2/20 0.32
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4270454 0.87 LPL (0.38) LPLLIPGESR2JAK2BTK
SCHEMBL23631403 0.84 ESR2 (0.33) LPLLIPGESR2JAK2BTK
SCHEMBL16535433 0.83 LPL (0.35) LPLLIPGESR2
SCHEMBL1477654 0.81 LPL (0.43) LPLLIPGJAK2BTK
SCHEMBL19989557 0.81 JAK2 (0.36) LPLLIPGESR2JAK2BTK
SCHEMBL16136495 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21592307 0.79 LPL (0.39) LPLLIPGESR2
SCHEMBL22330825 0.78 LPL (0.36) LPLLIPGESR2ALDH1A1KDM4E
SCHEMBL648182 0.78 CYP1A2 (0.40) LPLLIPGESR2JAK2BTK
SCHEMBL5104230 0.77 PDE4A (0.32) LPLLIPGESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024099269-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, USE THEREOF 华东师范大学 2024-05-16 WO disclosed
CN-118026880-A Aryl amide compound, pharmaceutical composition containing same and application thereof 华东师范大学 2024-05-14 CN disclosed