SCHEMBL29957680

SCHEMBL29957680

CCN1Cc2cccc(B(O)O)c2C1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.48
PARP2 Q9UGN5 5/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 3/20 0.41
MAPK10 P53779 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PREP P48147 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.40
CREBBP Q92793 1/20 0.40

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
SCHEMBL29953327 0.88 PARP1 (0.63) PARP1PARP2HTTLMNAALOX15
SCHEMBL2558999 0.85 PARP1 (0.60) PARP1PARP2HTTLMNAALOX15
SCHEMBL29957144 0.84 PARP1 (0.42) PARP1PARP2HTTLMNAALOX15
SCHEMBL29955619 0.79 PARP1 (0.58) PARP1PARP2HTTLMNACREBBP
SCHEMBL20468587 0.79 PARP1 (0.58) PARP1PARP2HTTLMNACREBBP
SCHEMBL805483 0.79 PARP1 (0.51) PARP1PARP2HTTLMNAALOX15
SCHEMBL805487 0.78 PARP1 (0.47) PARP1PARP2HTTLMNAALOX15
SCHEMBL11956536 0.78 PARP1 (0.47) PARP1PARP2HTTLMNAALOX15
SCHEMBL12714306 0.78 PARP1 (0.50) PARP1PARP2HTTLMNAALOX15
SCHEMBL17212040 0.78 PARP1 (0.47) PARP1PARP2HTTLMNAALOX15

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