SCHEMBL28545895

SCHEMBL28545895

CCOC(=O)c1ccc(Nc2cc(F)cc(F)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CASP3 P42574 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
LMNA P02545 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
GABRA2 P47869 5/20 0.42
GABRB2 P47870 5/20 0.42
GABRP O00591 4/20 0.42
GABRD O14764 4/20 0.42
GABRA1 P14867 4/20 0.42
GABRB1 P18505 4/20 0.42
GABRG2 P18507 4/20 0.42

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
SCHEMBL28532069 0.91 ALDH1A1 (0.54) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL28532052 0.89 HTT (0.56) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL28545378 0.86 SMN1; SMN2 (0.48) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL29031128 0.83 SMN1; SMN2 (0.47) MAPTMEN1KMT2ACASP3SENP7
SCHEMBL28543158 0.82 SMN1; SMN2 (0.53) MAPTMEN1KMT2ACASP3SENP7
SCHEMBL347328 0.81 CYP1A2 (0.51) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL29031101 0.81 SMN1; SMN2 (0.52) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL28543171 0.80 PDE4B (0.51) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL28537077 0.80 SMN1; SMN2 (0.50) MAPTMEN1KMT2ACASP3SENP7
SCHEMBL28540429 0.79 MTNR1B (0.62) MAPTMEN1KMT2ALMNAKDM4E

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
CN-111925357-B Acylhydrazone compound, pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2023-06-06 CN disclosed
CN-111925357-A Acylhydrazone compound, pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2020-11-13 CN disclosed