SCHEMBL30833154

SCHEMBL30833154

COCCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.68
CHRNA4 P43681 1/20 0.68
HPGD P15428 2/20 0.55
LMNA P02545 2/20 0.55
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAOB P27338 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LTA4H P09960 1/20 0.50
PTGS2 P35354 1/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.49
GRM5 P41594 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL3460244 1.00 CHRNB2 (0.68) CHRNB2CHRNA4HPGDLMNACHRNB4
SCHEMBL15720996 0.95 CHRNB2 (0.63) CHRNB2CHRNA4HPGDLMNACHRNB4
SCHEMBL2063354 0.92 CHRNB2 (0.67) CHRNB2CHRNA4HPGDLMNACHRNB4
SCHEMBL15498199 0.92 CHRNB2 (0.73) CHRNB2CHRNA4HPGDLMNACHRNB4
SCHEMBL2374109 0.85 CHRNB2 (0.70) CHRNB2CHRNA4HPGDLMNACHRNB4
SCHEMBL4701140 0.85 CHRNB2 (0.61) CHRNB2CHRNA4HPGDLMNACHRNB4
SCHEMBL14028449 0.85 CHRNB2 (0.69) CHRNB2CHRNA4HPGDLMNACHRNB4
SCHEMBL29547480 0.84 CHRNB2 (0.65) CHRNB2CHRNA4HPGDLMNACHRNB4
SCHEMBL17905717 0.84 CHRNB2 (0.68) CHRNB2CHRNA4HPGDLMNACHRNB4
SCHEMBL8957329 0.84 CHRNB2 (0.64) CHRNB2CHRNA4HPGDLMNACHRNB4

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-117677613-A Process for producing synthetic intermediate of monocyclic pyridine derivative 卫材R&D管理有限公司 2024-03-08 CN disclosed