SCHEMBL9847925

SCHEMBL9847925

O=[N+]([O-])c1cc(F)c(Cl)c(O)c1NC1CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.41
GPR35 Q9HC97 2/20 0.41
MAPT P10636 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TTR P02766 4/20 0.37
MAPK1 P28482 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9847878 0.87 MAPT (0.42) HCAR3MAPTGLAGAAALDH1A1
SCHEMBL9847822 0.86 MAPT (0.41) HCAR3MAPTGLAGAAALDH1A1
SCHEMBL10530485 0.83 MAPT (0.41) HCAR3MAPTGLAGAAALDH1A1
SCHEMBL9847906 0.78 MAPT (0.44) HCAR3MAPTGLAGAAALDH1A1
SCHEMBL25217733 0.76 HCAR3 (0.39) HCAR3MAPTGLAGAAALDH1A1
SCHEMBL30461558 0.76 HCAR3 (0.39) HCAR3MAPTGLAGAAALDH1A1
SCHEMBL2217900 0.72 MAPT (0.51) HCAR3MAPTGLAGAAALDH1A1
SCHEMBL17896593 0.71 MAPT (0.56) HCAR3MAPTGLAGAAALDH1A1
SCHEMBL29525723 0.71 MAPT (0.56) HCAR3MAPTGLAGAAALDH1A1
SCHEMBL14296999 0.70 HCAR3 (0.39) HCAR3MAPTGLAGAAALDH1A1

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-0430847-A1 Procedure for the preparation of N-cyclopropyl-4-fluoroanilines CENTRO MARGA PARA LA INVESTIGACION S.A. (ES) 1991-06-05 EP claimed