SCHEMBL25002899

SCHEMBL25002899

COC(=O)c1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
HPGD P15428 1/20 0.65
ERCC5 P28715 1/20 0.59
FEN1 P39748 1/20 0.59
HTR1A P08908 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CNR1 P21554 1/20 0.58
DRD1 P21728 1/20 0.58
HTR2A P28223 1/20 0.58
ADORA2A P29274 1/20 0.58
OPRM1 P35372 1/20 0.58
SCN5A Q14524 1/20 0.58
SCN9A Q15858 1/20 0.58
SCN2A Q99250 1/20 0.58
SCN3A Q9NY46 1/20 0.58
SCN10A Q9Y5Y9 1/20 0.58
SLC9A1 P19634 1/20 0.56
PTPN1 P18031 1/20 0.56
TP53 P04637 1/20 0.56

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
SCHEMBL4942973 0.85 SLC9A1 (0.57) ALDH1A1LMNAHPGDHTR1AADORA3
SCHEMBL4943742 0.84 HTT (0.51) ALDH1A1HPGDSCN10AMAPTKDM4E
SCHEMBL14150450 0.84 ALDH1A1 (0.56) ALDH1A1LMNAHPGDERCC5FEN1
SCHEMBL21981938 0.83 HTT (0.67) ALDH1A1LMNAHPGDMAPTKDM4E
SCHEMBL4946307 0.83 LMNA (0.57) ALDH1A1LMNAHPGDSLC9A1PTPN1
SCHEMBL22066403 0.83 HPGD (0.56) ALDH1A1LMNAHPGDERCC5FEN1
SCHEMBL4943612 0.83 ALDH1A1 (0.57) ALDH1A1HPGDHTR1AADORA3CNR1
SCHEMBL1143497 0.83 ALDH1A1 (0.50) ALDH1A1LMNAHPGDERCC5FEN1
SCHEMBL3059132 0.82 ALDH1A1 (0.62) ALDH1A1LMNAHPGDERCC5FEN1
SCHEMBL9477782 0.82 ALDH1A1 (0.69) ALDH1A1LMNAHPGDERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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