SCHEMBL29953781

SCHEMBL29953781

OB(O)c1cccc(Cn2ncc3ccccc32)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.63
ENPP2 Q13822 2/20 0.45
KMO O15229 1/20 0.43
ADRA2A P08913 1/20 0.42
CYP1A2 P05177 1/20 0.41
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39
LPL P06858 2/20 0.39
LIPG Q9Y5X9 2/20 0.39
DCTPP1 Q9H773 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BRD4 O60885 1/20 0.37
KAT7 O95251 1/20 0.37
KAT6A Q92794 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL29955349 0.84 RECQL (0.69) RECQLKMOADRA2ACYP1A2LPL
SCHEMBL29952857 0.82 RECQL (0.60) RECQLKMOCYP1A2EPHX2PPARG
SCHEMBL12419297 0.82 RECQL (0.60) RECQLKMOCYP1A2EPHX2PPARG
SCHEMBL30373336 0.81 RECQL (0.69) RECQLKMOADRA2ACYP1A2EPHX2
SCHEMBL2330379 0.81 RECQL (0.69) RECQLKMOADRA2ACYP1A2EPHX2
SCHEMBL248214 0.78 RECQL (1.00) RECQLKMOADRA2ACYP1A2TDP1
SCHEMBL30346162 0.78 RECQL (1.00) RECQLKMOADRA2ACYP1A2TDP1
SCHEMBL27638905 0.78 RECQL (0.69) RECQLKMOADRA2ACYP1A2TDP1
SCHEMBL28256129 0.75 RECQL (0.63) RECQLPOLB
SCHEMBL5430669 0.75 RECQL (0.84) RECQLKMOADRA2ACYP1A2BRD4

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