SCHEMBL21887069

SCHEMBL21887069

O=C(N/N=C/c1cc(F)ccc1[N+](=O)[O-])c1cccs1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.75
NPC1 O15118 8/20 0.75
RAB9A P51151 8/20 0.75
POLB P06746 5/20 0.75
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
LMNA P02545 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
HPGD P15428 2/20 0.67
HTT P42858 2/20 0.67
KDM4E B2RXH2 2/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
ALDH1A1 P00352 3/20 0.61
PKM P14618 1/20 0.61
TDP1 Q9NUW8 2/20 0.60

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
SCHEMBL31236779 0.86 NPC1 (1.00) MAPTNPC1RAB9APOLBMEN1
SCHEMBL21887603 0.81 MAPT (0.68) MAPTNPC1RAB9APOLBMEN1
SCHEMBL23698298 0.77 ALDH1A1 (0.60) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL23698299 0.77 ALDH1A1 (0.60) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL17044520 0.76 MEN1 (0.50) MAPTNPC1RAB9APOLBMEN1
SCHEMBL17044522 0.76 MEN1 (0.50) MAPTNPC1RAB9APOLBMEN1
Hydrochloric Acid SCHEMBL5703018 0.75 MEN1 (0.49) MAPTNPC1RAB9APOLBMEN1
Hydrochloric Acid SCHEMBL5703022 0.75 MEN1 (0.49) MAPTNPC1RAB9APOLBMEN1
SCHEMBL21887100 0.73 TDP1 (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL24185000 0.72 POLB (0.78) MAPTNPC1RAB9APOLBMEN1

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 disclosed
WO-2020065119-A1 ACYLHYDRAZONES FOR THE TREATMENT OF NEUROLOGICAL DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2020-04-02 WO disclosed