SCHEMBL29831007

SCHEMBL29831007

O=[N+]([O-])c1cccc(Nc2cnc(OCc3ccccc3)c(Br)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.51
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 1/20 0.45
AR P10275 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.44
CNR1 P21554 1/20 0.43
ACHE P22303 1/20 0.43
CNR2 P34972 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 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
SCHEMBL23195488 0.83 IGF1R (0.41) CTSVCTSLKMT2AMEN1KDM4E
SCHEMBL23163765 0.81 MAPK1 (0.49) PPIACTSVCTSLKMT2AALDH1A1
SCHEMBL29831476 0.81 PIN1 (0.50) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL29831603 0.78 MAPK14 (0.44) PPIACTSVCTSLKMT2AALDH1A1
SCHEMBL23164307 0.78 MAPK14 (0.44) PPIACTSVCTSLKMT2AALDH1A1
SCHEMBL29831781 0.78 AKT1 (0.52) KMT2AALDH1A1MEN1LMNAPOLB
SCHEMBL23163764 0.77 KMT2A (0.44) CTSVCTSLKMT2AALDH1A1MEN1
SCHEMBL29831611 0.77 AKT1 (0.48) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL23163724 0.73 PIN1 (0.48) CTSVCTSLKMT2AALDH1A1MEN1
SCHEMBL2717131 0.72 HPGD (0.69) KMT2AALDH1A1MEN1SMN1; SMN2MAPT

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
EP-4037770-A1 NOVEL PYRIDIN-2(1H)ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE FOR THE TREATMENT OF PAIN INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-08-10 EP disclosed