SCHEMBL29485992

SCHEMBL29485992

O=[N+]([O-])c1cc(Cl)ccc1OCc1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
ALDH1A1 P00352 6/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 1/20 0.53
PDE7A Q13946 4/20 0.50
PDE7B Q9NP56 2/20 0.50
S1PR4 O95977 1/20 0.47
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 1/20 0.43
CCR5 P51681 1/20 0.43
PKM P14618 1/20 0.43
FAAH O00519 1/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL22748314 1.00 LMNA (0.56) LMNAALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL7982492 0.83 NPC1 (0.60) LMNAALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL22748948 0.81 MASP2 (0.51) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL29485930 0.81 MASP2 (0.51) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4879420 0.81 POLB (0.57) LMNAALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL8808160 0.79 MAPT (0.55) LMNAALDH1A1MAPTSMN1; SMN2PDE7A
SCHEMBL15227790 0.78 LMNA (0.55) LMNAALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL3591203 0.76 ALDH1A1 (0.44) LMNAALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL810907 0.76 PARP10 (0.46) LMNAALDH1A1MAPTMAPK1PDE7A
SCHEMBL22748806 0.76 CYP1A2 (0.47) LMNAALDH1A1MAPTSMN1; SMN2KDM4E

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-3976185-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - Fondazione Istituto FIRC di Oncologia Molecolare (IT) 2022-04-06 EP disclosed