SCHEMBL29953746

SCHEMBL29953746

COc1ccnc(Cl)c1B(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMO O15229 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
IKBKB O14920 1/20 0.35
G6PD P11413 2/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 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
SCHEMBL4702995 0.79 ENPP2 (0.39) ENPP2ORAI1ORAI2ORAI3DYRK1A
SCHEMBL5039573 0.79 ENPP2 (0.39) ENPP2KMT2AORAI1ORAI2ORAI3
SCHEMBL2657700 0.79 ENPP2 (0.39) ENPP2ORAI1ORAI2ORAI3IKBKB
SCHEMBL29956241 0.79 ENPP2 (0.39) ENPP2KMT2AORAI1ORAI2ORAI3
SCHEMBL31016790 0.78 ENPP2 (0.38) ENPP2ORAI1ORAI2ORAI3DYRK1A
SCHEMBL24122438 0.75 MAPT (0.44) KMT2APOLBMEN1LMNADYRK1A
SCHEMBL15573110 0.75 CCR1 (0.35) LMNASMN1; SMN2
SCHEMBL29952668 0.75 CCR1 (0.35) LMNASMN1; SMN2
SCHEMBL22866470 0.74 HTR2A (0.41) ENPP2KMT2APOLBORAI1ORAI2
SCHEMBL16206270 0.74 ALDH1A1 (0.41) KMT2APOLBMEN1LMNADYRK1A

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