SCHEMBL2555213

SCHEMBL2555213

O=c1cccnn1Cc1ccc(F)cc1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.42
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ PKM P14618 1/20 0.38
▸ P2RX7 Q99572 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ PTGDR2 Q9Y5Y4 4/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL2556097 0.82 LIPG (0.38) MEN1KMT2APKMALDH1A1IDO1
SCHEMBL21352396 0.79 PKM (0.36) TP53MEN1KMT2APKMPTGDR2
SCHEMBL15329672 0.76 POLB (0.40) ALDH1A1PTGDR2LMNA
SCHEMBL27551879 0.72 HTT (0.54) TP53MEN1KMT2APKMALDH1A1
SCHEMBL1710859 0.71 MEN1 (0.56) TP53MEN1KMT2APKMALDH1A1
SCHEMBL21352405 0.71 MEN1 (0.39) TP53MEN1KMT2APKMALDH1A1
SCHEMBL15329554 0.69 IDH1 (0.36) TP53MEN1KMT2AP2RX7ALDH1A1
SCHEMBL21352389 0.69 ENPP2 (0.46) MEN1KMT2APKMALDH1A1IDO1
SCHEMBL15331440 0.68 LMNA (0.49) TP53MEN1KMT2AP2RX7ALDH1A1
SCHEMBL29951642 0.67 KDM4E (0.66) MEN1KMT2AALDH1A1KDM4E

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 7 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO disclosed
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