SCHEMBL2561409

SCHEMBL2561409

O=Cc1cc(Cl)ccc1OCc1cc(Br)cs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
CCR5 P51681 3/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
ERN1 O75460 1/20 0.37
MAPT P10636 1/20 0.37
CYP2A6 P11509 1/20 0.36
PTGER1 P34995 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR4 O95977 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
TACR2 P21452 1/20 0.35

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
SCHEMBL15332130 0.87 PTGDR2 (0.55) PTGDR2ALDH1A1CCR5ERN1MAPT
SCHEMBL2560017 0.82 ALDH1A1 (0.53) PTGDR2KDM4EALDH1A1MAPTCYP2A6
SCHEMBL2560057 0.82 RAB9A (0.46) PTGDR2KDM4EALDH1A1CCR5ERN1
SCHEMBL2555993 0.80 MGMT (0.44) PTGDR2KDM4EALDH1A1PKMCCR5
SCHEMBL29227218 0.79 CCR5 (0.56) PTGDR2KDM4ECCR5MRGPRX4MAPT
SCHEMBL15330861 0.78 ALDH1A1 (0.41) ALDH1A1MRGPRX4MAPTHPGDMEN1
SCHEMBL2560249 0.77 KDM4E (0.39) PTGDR2KDM4EALDH1A1PKMCCR5
SCHEMBL29956345 0.75 ALDH1A1 (0.44) ALDH1A1MAPTHPGDTSHRMEN1
SCHEMBL2562804 0.75 ALDH1A1 (0.41) KDM4EALDH1A1MRGPRX4MAPTHPGD
SCHEMBL15331340 0.75 LMNA (0.51) PTGDR2KDM4EALDH1A1PKMERN1

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