SCHEMBL15330822

SCHEMBL15330822

O=Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.44
PARP1 P09874 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
CYP19A1 P11511 2/20 0.40
AHR P35869 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL15330508 0.91 PTGS2 (0.47) PTGS2ALDH1A1AHRMEN1THRB
SCHEMBL15331132 0.91 PTGS2 (0.48) PTGS2ALDH1A1KDM4EGLAGAA
SCHEMBL7797094 0.88 PTGS2 (0.55) PTGS2AHR
SCHEMBL15332926 0.88 PTGS2 (0.39) PTGS2PARP1PARP3ALDH1A1KDM4E
SCHEMBL15331173 0.86 PARP1 (0.43) PTGS2PARP1PARP3ALDH1A1KDM4E
SCHEMBL15330182 0.86 SMN1; SMN2 (0.55) PTGS2ALDH1A1KDM4EGLAGAA
SCHEMBL15332995 0.85 KDM4E (0.45) PTGS2ALDH1A1KDM4EGLAGAA
SCHEMBL2561607 0.85 PTGS2 (0.44) PTGS2ALDH1A1KDM4EGLAGAA
SCHEMBL15332244 0.85 ALDH1A1 (0.46) PTGS2ALDH1A1KDM4EGLAGAA
SCHEMBL2560887 0.84 MEN1 (0.47) PTGS2ALDH1A1KDM4EGAAAHR

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