SCHEMBL25002900

SCHEMBL25002900

COC(=O)c1ccnc(-c2ccc(OC(C)C)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.51
▸ MAPT P10636 5/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ XDH P47989 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ ACACB O00763 2/20 0.46
▸ MCL1 Q07820 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ FDPS P14324 1/20 0.43
▸ FPR2 P25090 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL25002922 0.86 KMT2A (0.56) KMT2AMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL25003142 0.84 ALDH1A1 (0.53) KMT2AMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL25002930 0.82 RAB9A (0.49) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL25002901 0.81 ADORA3 (0.49) KMT2AMAPTSMN1; SMN2FPR2SCN9A
SCHEMBL22027749 0.80 KMT2A (0.42) KMT2AMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL25002890 0.80 MAP4K4 (0.51) KMT2AMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL25002912 0.80 PLA2G2A (0.48) KMT2AMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL25002892 0.80 NPC1 (0.52) KMT2AMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL3140118 0.80 SCN9A (0.57) KMT2AMAPTMEN1FPR2SCN9A
SCHEMBL14741986 0.80 MAPT (0.48) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1

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
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