SCHEMBL9599386

SCHEMBL9599386

O=[N+]([O-])c1cc(I)cc(OCc2ccc3ccccc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.51
CNR1 P21554 5/20 0.51
CYP19A1 P11511 2/20 0.50
TLR4 O00206 1/20 0.50
TLR2 O60603 1/20 0.50
RAB9A P51151 1/20 0.47
ACHE P22303 2/20 0.47
BCHE P06276 1/20 0.45
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
ALPG P10696 1/20 0.43
KMT2A Q03164 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
SCHEMBL9249796 0.86 MAPT (0.50) TLR4TLR2RAB9AMAOBMAOA
SCHEMBL6841844 0.80 MAPT (0.55) CNR2CNR1CYP19A1RAB9AMAOB
SCHEMBL6836524 0.78 MAPT (0.58) CNR2CNR1CYP19A1TLR4TLR2
SCHEMBL6841271 0.78 MAPT (0.53) CNR2CNR1CYP19A1MAOBMAOA
SCHEMBL6942590 0.77 MAPT (0.46) CNR2CNR1CYP19A1TLR4TLR2
SCHEMBL4847069 0.74 F2 (0.55) TLR4TLR2RAB9A
SCHEMBL8986112 0.74 MAOB (0.62) TLR4TLR2MAOBMAOAMEN1
SCHEMBL13904132 0.74 APP (0.66) RAB9A
SCHEMBL9597967 0.73 RAB9A (0.46) RAB9AMAOBMAPT
SCHEMBL18429630 0.72 APP (0.59) RAB9AMAOBMAOAMEN1MAPT

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
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed