SCHEMBL25599679

SCHEMBL25599679

O=C(OCc1ccccc1)c1ccc2nc(-c3cc(-c4nc5ccccc5s4)cc(-c4nc5ccccc5s4)c3)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
LMNA P02545 5/20 0.60
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
RAB9A P51151 5/20 0.50
MAPT P10636 4/20 0.50
GAA P10253 3/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 2/20 0.50
MITF O75030 1/20 0.50
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
KLF5 Q13887 1/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL25060406 0.94 SMN1; SMN2 (0.53) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL21186386 0.81 CYP2D6 (0.63) LMNASMN1; SMN2RAB9AMAPTNPC1
SCHEMBL146339 0.81 SMN1; SMN2 (0.69) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL16139782 0.78 KDM4E (0.81) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL13077895 0.77 MAPT (0.49) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL12596886 0.77 SMN1; SMN2 (0.74) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL14278030 0.76 MAPT (0.48) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL121572 0.76 KDM4E (1.00) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL4298781 0.76 RARA (0.64) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL505728 0.74 KDM4E (0.69) KDM4ELMNANFKB1NFKB2RELA

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-4194442-A1 ORGANIC ELECTRONIC DEVICE COMPRISING AN ORGANIC SEMICONDUCTOR LAYER Novaled GmbH (DE) 2023-06-14 EP disclosed