SCHEMBL9561789

SCHEMBL9561789

COCCOC(=O)c1ccnc(C(=O)OCCOC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
JMJD6 Q6NYC1 5/20 0.45
KMT2A Q03164 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KDM6B O15054 2/20 0.42
KDM5C P41229 2/20 0.42
KDM4C Q9H3R0 2/20 0.42
KDM2A Q9Y2K7 2/20 0.42
KDM3A Q9Y4C1 2/20 0.42
KDM5B Q9UGL1 2/20 0.42
TET3 O43151 1/20 0.42
KDM4A O75164 1/20 0.42
BBOX1 O75936 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM5A P29375 1/20 0.42
ASPH Q12797 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
TET2 Q6N021 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42

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
SCHEMBL20202083 0.91 TSHR (0.45) TSHRJMJD6KMT2AMAPTKDM4E
SCHEMBL8406007 0.86 JMJD6 (0.59) TSHRJMJD6MAPTKDM4EKDM6B
SCHEMBL9345772 0.85 SMN1; SMN2 (0.50) TSHRJMJD6MAPTKDM4EKDM6B
SCHEMBL726595 0.83 RECQL (0.47) TSHRKMT2AMAPTALDH1A1CA12
SCHEMBL8408330 0.83 L3MBTL1 (0.55) TSHRJMJD6KMT2AMAPTKDM4E
SCHEMBL29466587 0.82 JMJD6 (0.57) JMJD6KMT2AKDM5CKDM4CKDM5B
SCHEMBL930636 0.82 JMJD6 (0.57) JMJD6KMT2AKDM5CKDM4CKDM5B
SCHEMBL4582464 0.81 L3MBTL1 (0.57) TSHRJMJD6KMT2AMAPTKDM4E
SCHEMBL9561561 0.80 KDM4E (0.44) TSHRJMJD6KMT2AMAPTKDM4E
SCHEMBL9561675 0.80 MAPT (0.45) JMJD6KMT2AMAPTKDM4EKDM6B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5260323-A 2,4- and 2,5-substituted pyridine-N-oxides, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed