SCHEMBL29223607

SCHEMBL29223607

CC(C)(C)c1ccc(OC(=O)N2CCNC(=O)C2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ LMNA P02545 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MAPK14 Q16539 2/20 0.37
▸ TRPV1 Q8NER1 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36

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
SCHEMBL30202774 0.74 L3MBTL1 (0.64) SMN1; SMN2LMNAGAAALDH1A1L3MBTL1
SCHEMBL23925146 0.73 L3MBTL1 (0.49) SMN1; SMN2LMNAGAAKDM4EALDH1A1
SCHEMBL2106013 0.72 CYP1A2 (0.53) TRPV1
SCHEMBL22635853 0.71 L3MBTL1 (0.47) SMN1; SMN2LMNAGAAKDM4EALDH1A1
SCHEMBL22635874 0.70 L3MBTL1 (0.46) SMN1; SMN2LMNAGAAKDM4ETDP1
SCHEMBL190307 0.70 MAPK1 (0.59) SMN1; SMN2LMNAGAAKDM4ETDP1
SCHEMBL21718987 0.69 CYP3A4 (0.49) SMN1; SMN2LMNAGAAKDM4ETDP1
SCHEMBL488148 0.68 HSP90AA1 (0.61) TDP1POLBHRH3HSP90AA1
SCHEMBL9279600 0.68 POLB (0.52) SMN1; SMN2LMNAGAAKDM4EALDH1A1
Alcohol SCHEMBL29233432 0.65 MAPK1 (0.54) SMN1; SMN2KDM4ETDP1POLBL3MBTL1

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-117858874-A HPK1 degrading agents, compositions comprising the same, and methods of use thereof 百放开曼有限公司 2024-04-09 — — CN disclosed
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