SCHEMBL29005476

SCHEMBL29005476

CC(=O)N(c1cc(F)cc(Cl)c1)c1cc([N+](=O)[O-])ccn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
P2RX4 Q99571 3/20 0.33
PYGL P06737 1/20 0.32
PYGM P11217 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
EPAS1 Q99814 2/20 0.32

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
SCHEMBL30285721 1.00 TP53 (0.36) TP53ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL29005432 0.92 TP53 (0.40) TP53ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL29005468 0.84 ALDH1A1 (0.45) TP53ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL30285631 0.84 SNCA (0.36) TP53ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL29005420 0.84 SNCA (0.36) TP53ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL30285840 0.84 TSHR (0.40) TP53ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL30285811 0.84 MEN1 (0.45) TP53ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL29005766 0.84 MEN1 (0.45) TP53ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL30285884 0.84 ALDH1A1 (0.46) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29005482 0.84 ALDH1A1 (0.46) TP53ALDH1A1MEN1KMT2ASMN1; SMN2

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
CN-115996911-A Substituted N-phenylacetamides having P2X4 receptor antagonistic activity 拜耳公司 2023-04-21 CN disclosed