SCHEMBL15329787

SCHEMBL15329787

O=Cc1cn(-c2ccccc2)nc1-c1sccc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.61
KMT2A Q03164 11/20 0.56
ALDH1A1 P00352 11/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
POLB P06746 4/20 0.54
MEN1 O00255 9/20 0.51
KDM4E B2RXH2 6/20 0.51
RAB9A P51151 2/20 0.51
THRB P10828 1/20 0.51
PKM P14618 1/20 0.51
RECQL P46063 1/20 0.51
NLRP3 Q96P20 1/20 0.51
LMNA P02545 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HPGD P15428 4/20 0.46
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
PSMD14 O00487 1/20 0.42

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
SCHEMBL2557695 0.88 KMT2A (0.54) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL15331675 0.83 PTGS2 (0.41) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL2551858 0.82 PTGS2 (0.40) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL4917849 0.78 KMT2A (0.70) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL15333086 0.77 LMNA (0.38) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL3447906 0.76 PTGS2 (1.00) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL23392558 0.76 PTGS2 (0.86) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL15331394 0.75 PTGS2 (0.35) PTGS2SMN1; SMN2POLBRAB9APKM
SCHEMBL15331523 0.74 PTGS2 (0.34) PTGS2POLBRAB9APKMLMNA
SCHEMBL15330207 0.74 LMNA (0.41) PTGS2KMT2AALDH1A1SMN1; SMN2POLB

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 5 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