SCHEMBL30951735

SCHEMBL30951735

CSc1ccc(C=CC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.65
MAPT P10636 5/20 0.50
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
ITGB2 P05107 8/20 0.46
ICAM1 P05362 8/20 0.46
ITGAL P20701 8/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
HTT P42858 2/20 0.44
P4HB P07237 1/20 0.44
PKM P14618 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL27490600 0.88 PLA2G4A (0.76) PLA2G4AMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL3681764 0.82 PLA2G4A (0.78) PLA2G4AMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3681767 0.82 PLA2G4A (0.78) PLA2G4AMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2918644 0.81 TSHR (0.55) PLA2G4AMAPTHDAC6ALDH1A1SMN1; SMN2
SCHEMBL30779749 0.81 TSHR (0.55) PLA2G4AMAPTHDAC6ALDH1A1SMN1; SMN2
SCHEMBL2918642 0.81 TSHR (0.55) PLA2G4AMAPTHDAC6ALDH1A1SMN1; SMN2
SCHEMBL16960373 0.80 MEN1 (0.51) PLA2G4AMAPTHDAC6ALDH1A1SMN1; SMN2
SCHEMBL2785447 0.79 ALDH5A1 (0.63) PLA2G4AMAPTHDAC6ALDH1A1SMN1; SMN2
SCHEMBL2785445 0.79 ALDH5A1 (0.63) PLA2G4AMAPTHDAC6ALDH1A1SMN1; SMN2
SCHEMBL10780080 0.79 MAPT (0.64) PLA2G4AMAPTHDAC6ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630114-A1 NEW CYANOPYRIDINE KHK INHIBITOR COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2025-10-15 EP disclosed
WO-2024121183-A1 NEW CYANOPYRIDINE KHK INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-06-13 WO disclosed