SCHEMBL25003565

SCHEMBL25003565

COC(=O)c1nccc(-c2ccc(OC(C)C)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.50
MCL1 Q07820 4/20 0.47
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FDPS P14324 1/20 0.43
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
ACACB O00763 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
SCHEMBL25002894 0.86 KMT2A (0.56) KMOKMT2AMAPTMEN1KDM4E
SCHEMBL25003141 0.84 KMO (0.48) KMOMCL1KMT2AMAPTMEN1
SCHEMBL25003564 0.82 NPC1 (0.55) KMOKMT2AMAPTMEN1KDM4E
SCHEMBL25003570 0.81 KMO (0.50) KMOKMT2AMAPTMEN1KDM4E
SCHEMBL12538183 0.80 NPC1 (0.57) KMOKMT2AMAPTMEN1KDM4E
SCHEMBL25002898 0.80 KMO (0.68) KMOKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL25002907 0.80 PLA2G2A (0.54) KMOKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL25003566 0.80 ALPL (0.57) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL27566662 0.80 NPC1 (0.51) KMT2AMAPTMEN1SMN1; SMN2NPC1
SCHEMBL25002913 0.78 KDM4E (0.57) MCL1KMT2AMAPTMEN1KDM4E

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
WO-2023010192-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2023-02-09 WO disclosed