SCHEMBL29846956

SCHEMBL29846956

CC(C)c1cc(C(=O)NCC2=NOC(Cc3ccccc3)C2)n(C(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PPARG P37231 2/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL29846439 0.87 SMN1; SMN2 (0.37) SMN1; SMN2PPARGPPARA
SCHEMBL29846830 0.80 HTR4 (0.54) —
SCHEMBL29846908 0.80 MAPT (0.57) SMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL29846545 0.79 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ENPSR1RECQLCRHBP
SCHEMBL29846635 0.79 SMN1; SMN2 (0.39) SMN1; SMN2PPARGPPARADHODH
SCHEMBL29846562 0.79 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1RAB9A
SCHEMBL29846664 0.78 KMT2A (0.50) SMN1; SMN2KDM4EL3MBTL1ALDH1A1GAA
SCHEMBL29846604 0.77 EZH2 (0.51) RAB9A
SCHEMBL29846644 0.76 KLKB1 (0.42) SMN1; SMN2LMNAHPGD
SCHEMBL25439681 0.76 NR3C2 (0.35) SMN1; SMN2KDM4ENPSR1RECQLCRHBP

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-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 — — WO disclosed
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