SCHEMBL2562771

SCHEMBL2562771

O=Cc1c(-c2ccc(Cl)cc2)nn(-c2cccc(Cl)c2)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPP1CA P62136 1/20 0.45
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALPG P10696 1/20 0.40
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
ESR1 P03372 1/20 0.38
KDM4E B2RXH2 1/20 0.36
DRD2 P14416 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FLT3 P36888 1/20 0.36
ATM Q13315 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL15330556 0.92 NPC1 (0.44) PPP1CAGAANPSR1LMNAMAPT
SCHEMBL2554743 0.91 POLB (0.41) PPP1CANPSR1LMNAPTGS1PTGS2
SCHEMBL29955286 0.91 NPC1 (0.39) PPP1CAGAANPSR1LMNAMAPT
SCHEMBL11732622 0.89 NPSR1 (0.53) GAANPSR1LMNAPTGS1PTGS2
SCHEMBL2559499 0.88 MAPT (0.37) PPP1CAMAPTIDO1TDO2ESR1
SCHEMBL2558547 0.86 TRPV1 (0.36) PPP1CAGAANPSR1LMNAMAPT
SCHEMBL15330528 0.86 NPC1 (0.43) GAANPSR1LMNAMAPTIDO1
SCHEMBL15330409 0.85 NPC1 (0.36) PPP1CAGAAIDO1TDO2ESR1
SCHEMBL15331822 0.85 LMNA (0.40) GAANPSR1LMNAPTGS1PTGS2
SCHEMBL2557487 0.83 LMNA (0.40) GAANPSR1LMNAPTGS1PTGS2

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