SCHEMBL15329952

SCHEMBL15329952

O=Cc1c(-c2cccc(F)c2)nn(-c2ccc(F)cc2F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK14 Q16539 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MDM4 O15151 1/20 0.34
MDM2 Q00987 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR1 P21554 2/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
SCN9A Q15858 1/20 0.33
PTGER1 P34995 1/20 0.33
LMNA P02545 1/20 0.33
OPRM1 P35372 1/20 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
SCHEMBL15330046 0.91 NPC1 (0.50) NPC1RAB9AMAPK14L3MBTL1CNR1
SCHEMBL2559787 0.90 ESR1 (0.36) KDM4EALDH1A1XBP1MAPK1HTT
SCHEMBL15331264 0.90 PTGER1 (0.35) NPC1RAB9AKDM4EALDH1A1XBP1
SCHEMBL2561079 0.89 NPC1 (0.40) NPC1RAB9AL3MBTL1CNR1LMNA
SCHEMBL15331781 0.85 TMEM97 (0.40) NPC1RAB9AKDM4EALDH1A1MAPK1
SCHEMBL15330979 0.85 NPC1 (0.41) NPC1RAB9AMAPK14PTGS1PTGS2
SCHEMBL15331778 0.85 PTGS2 (0.40) NPC1RAB9AALDH1A1MAPK1PTGS1
SCHEMBL29956177 0.84 ESR1 (0.38) KDM4EALDH1A1XBP1MAPK1HTT
SCHEMBL15332581 0.83 NPC1 (0.38) NPC1RAB9AMAPK14ALDH1A1MAPK1
SCHEMBL2557696 0.82 PTGS2 (0.35) KDM4EALDH1A1XBP1MAPK1HTT

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