SCHEMBL4792365

SCHEMBL4792365

Cc1c(OC(=O)O)nc2c(OC(=O)O)cccc2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.35
ALOX12 P18054 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 2/20 0.35
DHODH Q02127 1/20 0.35
PDE10A Q9Y233 1/20 0.35
POLB P06746 2/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
MCL1 Q07820 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6081023 0.72 KDM4E (0.52) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL982700 0.69 KDM4E (0.40) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7623213 0.69 MAPT (0.38) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL376865 0.68 PPARA (0.39) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL2834876 0.67 ESR1 (0.53) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7171403 0.67 HSP90AA1 (0.44) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7774725 0.67 KDM4E (0.68) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6080005 0.67 MAPT (0.48) MAPTMEN1KMT2AL3MBTL1TDP1
Naphthalene SCHEMBL1132213 0.66 HSD17B10 (0.55) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL27913538 0.66 KDM4E (0.49) KDM4EMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922299-A1 METHOD FOR PRODUCING ORGANOMETALLIC FRAMEWORK MATERIALS CONTAINING MAIN GROUP METAL IONS BASF SE (DE) 2008-05-21 EP disclosed
WO-2007023134-A1 METHOD FOR PRODUCING ORGANOMETALLIC FRAMEWORK MATERIALS CONTAINING MAIN GROUP METAL IONS BASF AKTIENGESELLSCHAFT (DE) 2007-03-01 WO disclosed