SCHEMBL7734848

SCHEMBL7734848

OCCCc1cc(Cl)cc2nc(Cc3ccc(Cl)cc3Cl)oc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.35
TLR8 Q9NR97 3/20 0.34
MBOAT4 Q96T53 1/20 0.34
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
AKR1B1 P15121 1/20 0.33
P2RX7 Q99572 1/20 0.33
APLNR P35414 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GFER P55789 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7734337 0.88 NLRP3 (0.36) MAPTSIRT2AKR1B1
SCHEMBL7735795 0.85 MAPT (0.45) MAPTMEN1KMT2ASIRT2SMN1; SMN2
SCHEMBL7734700 0.84 NLRP3 (0.35) MAPTAKR1B1CYP1A2CYP2D6CYP2C9
SCHEMBL7734855 0.83 SIRT2 (0.34) MEN1KMT2ASIRT2AKR1B1
SCHEMBL7735662 0.82 NPC1 (0.42) MAPTMEN1KMT2A
SCHEMBL7733875 0.82 LMNA (0.41) MAPTMEN1KMT2ASIRT2SMN1; SMN2
SCHEMBL7734231 0.81 RAB9A (0.40) KMT2ASIRT2CYP1A2CYP2C9CYP2C19
SCHEMBL7735189 0.79 GAA (0.36) MAPTMEN1KMT2ASIRT2SMN1; SMN2
SCHEMBL7734093 0.79 SIRT2 (0.37) MAPTMEN1KMT2ASIRT2AKR1B1
SCHEMBL7724886 0.77 SMN1; SMN2 (0.35) MAPTMEN1KMT2ASMN1; SMN2HTT

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
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed