SCHEMBL22563359

SCHEMBL22563359

O=C(Oc1cc(Cl)cc(OC(O)c2ccc(-c3ccccc3)nc2)c1)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.43
BAZ2B Q9UIF8 1/20 0.39
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
HPGDS O60760 1/20 0.37
FFAR1 O14842 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL19933546 0.88 LDHA (0.55) LDHABAZ2BHPGDSTP53
SCHEMBL18573164 0.82 LDHA (0.63) LDHABAZ2BHPGDSMAPTSMN1; SMN2
SCHEMBL22059853 0.81 LDHA (0.47) LDHABAZ2BHPGDSMAPTTP53
SCHEMBL22059887 0.76 LDHA (0.55) LDHABAZ2BHPGDSMAPTSMN1; SMN2
SCHEMBL20006909 0.75 TRPV1 (0.47) LDHABAZ2BHPGDS
SCHEMBL19933629 0.74 LDHA (0.48) LDHABAZ2BMAPTSMN1; SMN2L3MBTL1
SCHEMBL21125569 0.71 LDHA (0.49) LDHABAZ2BHPGDSMAPTSMN1; SMN2
SCHEMBL19933542 0.71 SMN1; SMN2 (0.52) MAPTSMN1; SMN2TP53
SCHEMBL22563402 0.70 LDHA (0.47) LDHABAZ2BHPGDSMAPTSMN1; SMN2
SCHEMBL18573215 0.69 LDHA (0.54) LDHABAZ2BHPGDSMAPTSMN1; SMN2

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
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed