SCHEMBL24891731

SCHEMBL24891731

COc1cc(C2=CCNCC2)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(CN)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.48
MAPKAPK2 P49137 1/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
KLKB1 P03952 2/20 0.42
CSF1R P07333 1/20 0.42
PLAU P00749 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TP53 P04637 1/20 0.40
BRPF1 P55201 1/20 0.40
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
PRSS1 P07477 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
NAMPT P43490 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL24892281 0.86 MAPKAPK2 (0.56) QDPRMAPKAPK2KDM4EKLKB1PLAU
SCHEMBL29803255 0.86 MAPKAPK2 (0.56) QDPRMAPKAPK2KDM4EKLKB1PLAU
SCHEMBL24892288 0.85 KLKB1 (0.45) MAPKAPK2HPGDMAPTALDH1A1KLKB1
SCHEMBL24891804 0.80 MAPKAPK2 (0.48) MAPKAPK2KLKB1PLAUPLGPLAT
SCHEMBL30182365 0.80 MAPKAPK2 (0.48) MAPKAPK2KLKB1PLAUPLGPLAT
SCHEMBL30182510 0.80 MAPKAPK2 (0.52) MAPKAPK2KLKB1PLAUPLGPLAT
SCHEMBL24892041 0.80 MAPKAPK2 (0.52) MAPKAPK2KLKB1PLAUPLGPLAT
SCHEMBL24892310 0.79 MAPKAPK2 (0.48) MAPKAPK2ALDH1A1KDM4EKLKB1PLAU
SCHEMBL24892010 0.79 MAPKAPK2 (0.48) MAPKAPK2ALDH1A1KDM4EKLKB1PLAU
SCHEMBL24670221 0.79 QDPR (0.51) QDPRHPGDMAPTALDH1A1KDM4E

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
WO-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 WO disclosed
WO-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 WO disclosed