SCHEMBL26066045

SCHEMBL26066045

COc1cc(NC(=O)c2cccnc2)c(C)c(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
MAPT P10636 4/20 0.65
SMN1; SMN2 Q16637 5/20 0.63
TSHR P16473 2/20 0.63
POLB P06746 1/20 0.63
MAPK1 P28482 1/20 0.62
ALDH1A1 P00352 1/20 0.60
ABCB1 P08183 2/20 0.54
ABCC1 P33527 2/20 0.54
NPC1 O15118 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL21870166 0.84 KDM4E (0.73) KDM4EMAPTSMN1; SMN2TSHRPOLB
SCHEMBL29989633 0.79 MAPT (1.00) KDM4EMAPTSMN1; SMN2TSHRPOLB
SCHEMBL4651272 0.79 MAPT (1.00) KDM4EMAPTSMN1; SMN2TSHRPOLB
SCHEMBL26066041 0.78 TP53 (0.63) KDM4EMAPTSMN1; SMN2TSHRPOLB
SCHEMBL17318564 0.78 SMN1; SMN2 (0.57) KDM4EMAPTSMN1; SMN2TSHRPOLB
SCHEMBL20771350 0.78 KDM4E (0.80) KDM4EMAPTSMN1; SMN2TSHRPOLB
SCHEMBL11196639 0.78 SMN1; SMN2 (0.81) KDM4EMAPTSMN1; SMN2TSHRPOLB
SCHEMBL28637064 0.78 MAPK1 (0.64) KDM4EMAPTSMN1; SMN2TSHRPOLB
SCHEMBL15886859 0.78 MAPK1 (0.64) KDM4EMAPTSMN1; SMN2TSHRPOLB
SCHEMBL30061143 0.78 MAPK1 (0.64) KDM4EMAPTSMN1; SMN2TSHRPOLB

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-3628374-B1 BCL-3 INHIBITORS UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2023-08-30 EP disclosed