SCHEMBL29696278

SCHEMBL29696278

COC(=O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ VCP P55072 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KIF11 P52732 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ PIK3CG P48736 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
SCHEMBL22925720 1.00 KMT2A (0.40) KMT2ALMNAVCPMAPK1KIF11
SCHEMBL22925719 0.88 KMT2A (0.42) KMT2AVCPKIF11DHODH
SCHEMBL22925600 0.87 TRPV1 (0.45) VCPFLT1FLT4KDR
SCHEMBL22925613 0.82 TRPV1 (0.36) KMT2AVCPKIF11KDM4EFLT1
SCHEMBL29696298 0.82 TRPV1 (0.36) KMT2AVCPKIF11KDM4EFLT1
SCHEMBL28733637 0.81 KMT2A (0.40) KMT2AVCPMAPK1KIF11KDM4E
SCHEMBL22925928 0.81 KMT2A (0.40) KMT2AVCPMAPK1KIF11KDM4E
SCHEMBL24636898 0.79 SCN9A (0.36) KMT2A
SCHEMBL22925698 0.79 SCN9A (0.36) KMT2A
SCHEMBL29620956 0.79 SCN9A (0.36) KMT2A

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-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 — — EP disclosed
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