SCHEMBL2551858

SCHEMBL2551858

O=Cc1cn(-c2ccccn2)nc1-c1sccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
POLB P06746 3/20 0.36
MEN1 O00255 4/20 0.34
KDM4E B2RXH2 2/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
NLRP3 Q96P20 1/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
EP300 Q09472 1/20 0.34
KAT2B Q92831 1/20 0.34
CYP2A6 P11509 2/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 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
SCHEMBL15331675 0.86 PTGS2 (0.41) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL15329787 0.82 PTGS2 (0.61) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL2557695 0.79 KMT2A (0.54) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL15333086 0.73 LMNA (0.38) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL31596091 0.72 SMN1; SMN2 (0.40) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL15331394 0.71 PTGS2 (0.35) PTGS2SMN1; SMN2POLBPKMRAB9A
SCHEMBL15331523 0.70 PTGS2 (0.34) PTGS2POLBPKMRAB9AMAPT
SCHEMBL15330207 0.70 LMNA (0.41) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL15332377 0.68 LMNA (0.44) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL2560791 0.68 RAB9A (0.34) PTGS2SMN1; SMN2POLBPKMRAB9A

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