SCHEMBL2554956

SCHEMBL2554956

O=Cc1c(-c2ccccc2)nn(-c2ccc(F)c(F)c2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
PTGS2 P35354 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
GRM5 P41594 1/20 0.35
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
MAPT P10636 2/20 0.34
KCNJ6 P48051 1/20 0.34

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
SCHEMBL2551350 0.90 LMNA (0.40) KDM4EALDH1A1NPSR1PTGS2SMN1; SMN2
SCHEMBL15331796 0.89 PTGS2 (0.35) CYP1A2CYP2C9CYP2C19PTGS2
SCHEMBL2554739 0.87 NPSR1 (0.41) GAAKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL15330300 0.86 IDO1 (0.39) PTGS2NPC1RAB9AIDO1TDO2
SCHEMBL15331816 0.85 POLB (0.46) GAAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL2556647 0.85 NPC1 (0.46) GAAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL15331831 0.85 GAA (0.49) GAAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL15329733 0.85 POLB (0.40) GAAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL2556343 0.85 HTT (0.36) GAAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL2559164 0.84 NPSR1 (0.43) GAAKDM4EALDH1A1CYP1A2CYP2D6

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