SCHEMBL30862201

SCHEMBL30862201

COc1cc(/C=N/NC(=O)c2nccc(-c3ccc(OC4CCCC4)cc3)n2)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ HPGD P15428 6/20 0.50
▸ MAPT P10636 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MGAM O43451 1/20 0.45
▸ KMO O15229 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 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
SCHEMBL27237475 1.00 ALDH1A1 (0.50) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL25002954 1.00 ALDH1A1 (0.50) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL30862209 0.89 ALDH1A1 (0.62) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL25002951 0.89 ALDH1A1 (0.62) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL27237480 0.89 ALDH1A1 (0.62) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL30171377 0.86 MAPT (0.52) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL25002958 0.86 MAPT (0.52) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL27237434 0.86 MAPT (0.52) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL25003166 0.84 FDPS (0.47) ALDH1A1HPGDMAPTSMN1; SMN2GAA
SCHEMBL30951018 0.84 FDPS (0.47) ALDH1A1HPGDMAPTSMN1; SMN2GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076347-A N-acylhydrazone compounds capable of inhibiting NAV 1.7 and/or NAV 1.8, methods of making, compositions, uses, methods of treatment and kits using the same 欧罗法玛实验室股份公司 2024-05-24 — — CN claimed
EP-4382101-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) 2024-06-12 — — EP disclosed
CN-118076347-A N-acylhydrazone compounds capable of inhibiting NAV 1.7 and/or NAV 1.8, methods of making, compositions, uses, methods of treatment and kits using the same 欧罗法玛实验室股份公司 2024-05-24 — — CN disclosed
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