SCHEMBL29951975

SCHEMBL29951975

CN1Cc2c(B(O)O)cccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
UGCG Q16739 3/20 0.34
ROCK2 O75116 1/20 0.34
OPRL1 P41146 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL2558098 0.80 PARP1 (0.41) LMNAPARP1MEN1HTTKMT2A
SCHEMBL29954152 0.80 HTT (0.43) LMNAPARP1ALDH1A1MEN1HTT
SCHEMBL29951946 0.79 IDH1 (0.44) POLBALDH1A1MEN1HTTKMT2A
SCHEMBL29957027 0.79 HTT (0.44) POLBMEN1HTTKMT2A
SCHEMBL29951234 0.79 NOTUM (0.45) ALDH1A1SMN1; SMN2MEN1HTTKMT2A
SCHEMBL19370098 0.79 CRBN (0.48) POLBRECQLLMNAPARP1ALDH1A1
SCHEMBL29951915 0.78 UGCG (0.58) LMNASMN1; SMN2UGCGMEN1HTT
SCHEMBL1333882 0.77 PIM1 (0.46) POLBRECQLPARP1ALDH1A1UGCG
SCHEMBL17520009 0.77 ALDH1A1 (0.46) POLBRECQLPARP1ALDH1A1SMN1; SMN2
SCHEMBL18368411 0.76 KCNJ1 (0.38) POLBRECQLLMNAPARP1ALDH1A1

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