SCHEMBL25003802

SCHEMBL25003802

NNC(=O)c1ccnc(-c2ccc(OC3CCCC3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 3/20 0.48
▸ SCN10A Q9Y5Y9 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HDAC1 Q13547 3/20 0.44
▸ KDM1A O60341 2/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ ACACB O00763 1/20 0.42
▸ ACACA Q13085 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PREP P48147 2/20 0.41
▸ MAPT P10636 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
SCHEMBL25003934 0.84 KDM4E (0.52) FDPSSCN10ALMNANPC1ALDH1A1
SCHEMBL25003144 0.81 KMO (0.51) FDPSLMNANPC1ALDH1A1RAB9A
SCHEMBL25003161 0.81 FDPS (0.58) FDPSLMNANPC1ALDH1A1RAB9A
SCHEMBL25003821 0.80 HDAC1 (0.64) SCN10ALMNANPC1ALDH1A1RAB9A
SCHEMBL25003135 0.79 ALDH1A1 (0.61) SCN10ALMNANPC1ALDH1A1RAB9A
SCHEMBL25003827 0.79 FDPS (0.46) FDPSLMNANPC1ALDH1A1RAB9A
SCHEMBL14161002 0.78 PARP10 (0.61) LMNANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30171377 0.77 MAPT (0.52) LMNANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL27237434 0.77 MAPT (0.52) LMNANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29828850 0.77 KAT6A (0.60) ALDH1A1RAB9ASMN1; SMN2KMT2A

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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