SCHEMBL10495651

SCHEMBL10495651

O=[N+]([O-])c1ccc(/C=C/c2ccncn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
NPC1 O15118 4/20 0.72
RAB9A P51151 4/20 0.72
APP P05067 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
FBP1 P09467 1/20 0.51
PTGS2 P35354 6/20 0.50
PTGS1 P23219 2/20 0.50
CYP19A1 P11511 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.46
PIM1 P11309 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL10495657 1.00 MAPT (0.72) MAPTNPC1RAB9AAPPSMN1; SMN2
SCHEMBL62412 0.84 MAPT (1.00) MAPTNPC1RAB9AAPPSMN1; SMN2
SCHEMBL62411 0.84 MAPT (1.00) MAPTNPC1RAB9AAPPSMN1; SMN2
SCHEMBL10495652 0.81 RAB9A (0.63) MAPTNPC1RAB9AAPPSMN1; SMN2
SCHEMBL9805966 0.80 NPC1 (0.70) MAPTNPC1RAB9AAPPSMN1; SMN2
SCHEMBL9058120 0.80 NPC1 (0.70) MAPTNPC1RAB9AAPPSMN1; SMN2
SCHEMBL14947048 0.80 APP (0.78) MAPTNPC1RAB9AAPPSMN1; SMN2
SCHEMBL9170800 0.80 APP (0.78) MAPTNPC1RAB9AAPPSMN1; SMN2
SCHEMBL458178 0.80 APP (0.78) MAPTNPC1RAB9AAPPSMN1; SMN2
SCHEMBL458177 0.80 APP (0.78) MAPTNPC1RAB9AAPPSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4886801-A Diazine-ethenylphenyl oxamic acids and esters and salts thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1989-12-12 US disclosed
US-4788198-A ANTIALLERGENS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1988-11-29 US disclosed
EP-0137979-B1 DIAZINE-ETHENYLPHENYL OXAMIC ACIDS AND ESTERS AND SALTS THEREOF Boehringer Ingelheim Pharmaceuticals Inc. (US) 1988-10-26 EP disclosed
US-4681884-A ANTIALLERGEN, ANTIINFLAMMATORY BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1987-07-21 US disclosed
EP-0137979-A1 Diazine-ethenylphenyl oxamic acids and esters and salts thereof Boehringer Ingelheim Pharmaceuticals Inc. (US) 1985-04-24 EP disclosed