SCHEMBL29653296

SCHEMBL29653296

COc1ccc(B(O)O)c(C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.50
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 9/20 0.38
ENPP2 Q13822 2/20 0.38
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
BRD7 Q9NPI1 1/20 0.33
PDE2A O00408 2/20 0.33
PDE5A O76074 2/20 0.33
PDE7A Q13946 2/20 0.33
PDE11A Q9HCR9 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3A Q14432 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
SCHEMBL248283 1.00 NNMT (0.50) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL321488 0.79 POLB (0.52) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL29957302 0.79 MAPT (0.39) NNMTCYP1A2ALDH1A1HTT
SCHEMBL2725012 0.78 POLB (0.38) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL29955515 0.78 NNMT (0.41) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL29952969 0.78 POLB (0.38) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL29956451 0.78 POLB (0.38) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL16294781 0.78 POLB (0.38) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL31189712 0.75 NNMT (0.46) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL29952389 0.75 POLB (0.36) NNMTPOLBTDP1CYP1A2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220541-A1 NK3 MODULATORS AND USES THEREOF KALLYOPE, INC. (US) 2024-10-24 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 WO disclosed