SCHEMBL29261995

SCHEMBL29261995

COC(=O)c1cccc2nc(CCC(=O)O)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.53
PARP1 P09874 3/20 0.51
PARP2 Q9UGN5 2/20 0.51
KDM4E B2RXH2 3/20 0.46
APEX1 P27695 1/20 0.43
PRKAG1 P54619 3/20 0.42
PRKAA2 P54646 3/20 0.42
PRKAB1 Q9Y478 3/20 0.42
PRKAA1 Q13131 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL29894060 1.00 CHRM1 (0.53) CHRM1PARP1PARP2KDM4EAPEX1
SCHEMBL1917771 0.87 RIPK1 (0.44) KDM4EL3MBTL1MAPTCYP1A2GAA
SCHEMBL9197306 0.85 RIPK1 (0.48) PARP1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL7721019 0.84 DDAH1 (0.44) KDM4EL3MBTL1MAPTGAAKMT2A
SCHEMBL3079241 0.84 MAPT (0.43) KDM4EMAPTPOLBGAAKMT2A
SCHEMBL7002080 0.83 KDM4E (0.48) KDM4EL3MBTL1MAPTGAAKMT2A
SCHEMBL1552358 0.82 RNASEH1 (0.54) KDM4EL3MBTL1MAPTCYP1A2CYP2C9
SCHEMBL937977 0.82 PKM (0.48) KDM4EL3MBTL1MAPTPOLBGAA
SCHEMBL20594099 0.80 MAPT (0.46) KDM4EL3MBTL1MAPTCYP1A2GAA
SCHEMBL10691303 0.78 POLB (0.46) POLBGAAKMT2A

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
CN-117957218-A Targeted protein degradation using bifunctional compounds that bind to ubiquitin ligases and target MCL-1 proteins 凯普托尔治疗学股份有限公司 2024-04-30 CN disclosed
CN-115023419-A Cereblon-bound piperidine-2, 6-diones and methods of use thereof 凯普托尔治疗学股份有限公司 2022-09-06 CN disclosed