SCHEMBL28292414

SCHEMBL28292414

CC(=O)c1cccc(C(C)=O)n1.NNC(=O)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.49
MAPT P10636 3/20 0.45
MPO P05164 2/20 0.44
CYP3A4 P08684 2/20 0.44
HIF1A Q16665 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM5A P29375 1/20 0.44
BLM P54132 1/20 0.44
GFER P55789 1/20 0.44
PMP22 Q01453 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
KDM4E B2RXH2 5/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2C19 P33261 2/20 0.43
OGG1 O15527 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL28289643 0.88 MPO (0.62) P2RX7MAPTMPOCYP3A4HIF1A
SCHEMBL18519145 0.83 P2RX7 (0.68) P2RX7MAPTCYP3A4MEN1KMT2A
SCHEMBL27856650 0.82 P2RX7 (0.46) P2RX7MAPTMPOCYP3A4HIF1A
Benzoic Acid Hydrazide SCHEMBL28292413 0.80 ALDH1A1 (0.42) P2RX7MAPTMPOCYP3A4HIF1A
SCHEMBL328628 0.79 HIF1A (0.67) MAPTMPOCYP3A4HIF1AMEN1
SCHEMBL455687 0.75 KDM4E (0.59) P2RX7MAPTMEN1KMT2AKDM4E
SCHEMBL28493192 0.74 ALDH1A1 (0.44) P2RX7MAPTKDM4ELMNAALDH1A1
SCHEMBL5452318 0.73 MPO (0.64) MAPTMPOCYP3A4HIF1AKMT2A
SCHEMBL1142172 0.73 P2RX7 (0.74) P2RX7MAPTCYP3A4KDM4ELMNA
Hydrochloric Acid SCHEMBL27613793 0.73 KDM4E (0.56) P2RX7MAPTMEN1KMT2AKDM4E

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-109627210-A A kind of gallium fluorescence probe and preparation method thereof, application and apply product 东南大学 2019-04-16 CN disclosed