SCHEMBL23698306

SCHEMBL23698306

O=C(NN=Cc1cc([N+](=O)[O-])ccc1F)c1ccco1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
MEN1 O00255 4/20 0.57
HTT P42858 3/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.49
HCRTR1 O43613 1/20 0.49
PHGDH O43175 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL23698305 1.00 KMT2A (0.57) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL30714864 0.85 MAPT (0.61) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL23698298 0.81 ALDH1A1 (0.60) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL23698299 0.81 ALDH1A1 (0.60) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL8291982 0.81 MAPT (0.66) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL21887603 0.78 MAPT (0.68) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL13628792 0.75 ALDH1A1 (0.58) KMT2ANPC1MEN1HTTMAPT
SCHEMBL13673499 0.75 HTT (0.56) KMT2AMEN1HTTMAPTLMNA
SCHEMBL13673500 0.75 HTT (0.56) KMT2AMEN1HTTMAPTLMNA
SCHEMBL13673635 0.74 HTT (0.49) KMT2ANPC1RAB9AMEN1HTT

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