SCHEMBL22749049

SCHEMBL22749049

O=[N+]([O-])c1cc(Cl)ccc1OC(F)c1ccccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PDE7A Q13946 7/20 0.49
PDE7B Q9NP56 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.40
KIF18A Q8NI77 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
S1PR4 O95977 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
VCAM1 P19320 1/20 0.38

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
SCHEMBL29133541 0.76 PDE7A (0.51) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL19175613 0.73 PDK1 (0.61) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL29485992 0.73 LMNA (0.56) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL22748314 0.73 LMNA (0.56) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL10387432 0.70 PDE7A (0.71) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL11442169 0.70 PDE7A (0.50) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL17068903 0.69 PDE7A (0.58) MAPTALDH1A1LMNAMAPK1PDE7A
SCHEMBL31090820 0.69 PDE7A (0.73) MAPTALDH1A1LMNASMN1; SMN2PDE7A
SCHEMBL2020498 0.69 PDE7A (0.73) MAPTALDH1A1LMNASMN1; SMN2PDE7A
SCHEMBL8091743 0.69 HPGD (0.60) MAPTALDH1A1LMNAMAPK1SMN1; 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-3976185-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - Fondazione Istituto FIRC di Oncologia Molecolare (IT) 2022-04-06 EP disclosed
WO-2020245213-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2020-12-10 WO disclosed