SCHEMBL29953994

SCHEMBL29953994

N#CCN1Cc2ccc(B(O)O)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ENPP2 Q13822 4/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
PREP P48147 2/20 0.34
PER2 O15055 1/20 0.34
CRY2 Q49AN0 1/20 0.34
HDAC1 Q13547 3/20 0.33
HDAC4 P56524 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
ADAM17 P78536 5/20 0.32
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
HDAC7 Q8WUI4 1/20 0.31

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
SCHEMBL29955702 0.89 ENPP2 (0.36) KDM4EENPP2ALOX15TSHRSIRT1
SCHEMBL29955852 0.82 ACACB (0.43) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL2559394 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL29956886 0.80 ALDH1A1 (0.42) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL2627990 0.74 DDB1 (0.44) KDM4EALDH1A1HPGDENPP2
SCHEMBL29952024 0.71 KDM4E (0.38) KDM4E
SCHEMBL29955396 0.71 PRF1 (0.40) KDM4EALOX15TSHRSIRT1PREP
SCHEMBL29952168 0.70 NPC1 (0.59) KDM4EHDAC6
SCHEMBL2559421 0.70 PRF1 (0.43) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL29956413 0.69 LMNA (0.42) KDM4EALDH1A1ALOX15TSHRSIRT1

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