SCHEMBL28307347

SCHEMBL28307347

CC(c1ccccc1)c1ccc([N+](=O)[O-])nc1N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 2/20 0.35
DCTPP1 Q9H773 1/20 0.34
HTT P42858 2/20 0.33
PKM P14618 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P4HB P07237 1/20 0.33
HSP90AA1 P07900 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL28306176 0.70 KMT2A (0.37) KMT2AMAPTNPSR1TDP1ALDH1A1
SCHEMBL10799613 0.70 CYP1A2 (0.42) KMT2AKDM4EMAPTNPSR1TDP1
SCHEMBL16284293 0.69 CYP1A2 (0.51) KMT2AMAPTNPSR1TDP1ALDH1A1
SCHEMBL28128795 0.69 ALDH1A1 (0.44) KDM4EMAPTTDP1ALDH1A1LMNA
SCHEMBL3962873 0.68 P2RX3 (0.49) KMT2A
SCHEMBL4382927 0.68 P2RX3 (0.49) KMT2A
SCHEMBL27864585 0.68 ALDH1A1 (0.62) KMT2AMAPTTDP1ALDH1A1LMNA
SCHEMBL10780753 0.68 CTSB (0.41) TYRKMT2AKDM4EMAPTNPSR1
SCHEMBL2578922 0.67 ATM (0.39) MAPTTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL10774564 0.67 TSHR (0.44) TYRKMT2AMAPTTDP1ALDH1A1

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-109970633-A Pyridine sulfone and its derivative, preparation method and application 湖南化工研究院有限公司 2019-07-05 CN disclosed