SCHEMBL23698299

SCHEMBL23698299

O=C(NN=Cc1cc(F)ccc1[N+](=O)[O-])c1ccco1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
MAPT P10636 6/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 4/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 2/20 0.50
HCRTR1 O43613 1/20 0.50
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL23698298 1.00 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL30714872 0.81 MAPT (0.69) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL23698306 0.81 KMT2A (0.57) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL23698305 0.81 KMT2A (0.57) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL21887104 0.80 MAPT (0.67) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL23698307 0.80 MAPT (0.67) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL30714864 0.77 MAPT (0.61) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL21887069 0.77 MAPT (0.75) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL8291982 0.77 MAPT (0.66) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL23698296 0.76 MAPT (0.67) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858342-A1 ACYLHYDRAZONES FOR THE TREATMENT OF NEUROLOGICAL DISEASES Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2021-08-04 EP claimed
EP-3858342-A1 ACYLHYDRAZONES FOR THE TREATMENT OF NEUROLOGICAL DISEASES Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2021-08-04 EP disclosed