SCHEMBL29956413

SCHEMBL29956413

CCCN1Cc2cc(B(O)O)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
PARP1 P09874 1/20 0.42
HTT P42858 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PRF1 P14222 2/20 0.42
GRM5 P41594 3/20 0.41
GRM1 Q13255 2/20 0.41
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK10 P53779 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 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
SCHEMBL2501696 0.92 PRF1 (0.44) LMNAPARP1HTTPARP2PRF1
SCHEMBL29956886 0.89 ALDH1A1 (0.42) LMNAPARP1HTTPARP2PRF1
SCHEMBL29955396 0.88 PRF1 (0.40) PRF1GRM5GRM1KDM4ETSHR
SCHEMBL2559421 0.87 PRF1 (0.43) PARP1PARP2PRF1KDM4ETSHR
SCHEMBL2627975 0.81 PARP1 (0.47) PARP1PARP2KDM4ETSHRALOX15
SCHEMBL289469 0.80 UGCG (0.39) PARP1PRF1GRM5
SCHEMBL29431366 0.80 UGCG (0.39) PARP1PRF1GRM5
SCHEMBL29955702 0.80 ENPP2 (0.36) PRF1KDM4ETSHRALOX15SIRT1
SCHEMBL1500127 0.78 PRF1 (0.44) LMNAPARP1HTTPARP2PRF1
SCHEMBL4724309 0.78 KDM4E (0.48) LMNAPARP1HTTPARP2PRF1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed