SCHEMBL24993370

SCHEMBL24993370

CCCN1CCN(c2cncc(C(=O)NN)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.44
PARP1 P09874 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
RAD52 P43351 1/20 0.37
DRD2 P14416 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL24993525 0.84 DRD2 (0.40) PTPN11ALDH1A1HRH3DRD2SIGMAR1
SCHEMBL31015413 0.83 AOC3 (0.42)
SCHEMBL24993369 0.82 AOC3 (0.43) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL24993366 0.80 AOC3 (0.45) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24993358 0.77 KIF18A (0.43)
SCHEMBL24994261 0.75 KMT2A (0.41) MAPTALDH1A1SMN1; SMN2RAD52MAPK1
SCHEMBL24993374 0.73 TARDBP (0.44)
SCHEMBL24993361 0.71 SCN10A (0.41)
SCHEMBL31078509 0.70 PIM2 (0.47) PARP1ALDH1A1
SCHEMBL24694730 0.69 OGA (0.37) PARP1

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-2023010191-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