SCHEMBL9847822

SCHEMBL9847822

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HCAR3 P49019 3/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
TXNRD1 Q16881 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 0.90 MAPT (0.42) MAPTGLAGAAHCAR3ALDH1A1
SCHEMBL10530485 0.88 MAPT (0.41) MAPTGLAGAAHCAR3ALDH1A1
SCHEMBL25217733 0.87 HCAR3 (0.39) MAPTGLAGAAHCAR3ALDH1A1
SCHEMBL30461558 0.87 HCAR3 (0.39) MAPTGLAGAAHCAR3ALDH1A1
SCHEMBL9847906 0.86 MAPT (0.44) MAPTGLAGAAHCAR3ALDH1A1
SCHEMBL9847925 0.86 HCAR3 (0.41) MAPTGLAGAAHCAR3ALDH1A1
SCHEMBL25220217 0.78 TDP1 (0.42) MAPTGLAGAAHCAR3ALDH1A1
SCHEMBL20337755 0.77 MAPT (0.47) MAPTGLAGAAHCAR3ALDH1A1
SCHEMBL2217900 0.75 MAPT (0.51) MAPTGLAGAAHCAR3ALDH1A1
SCHEMBL2507487 0.74 MAPT (0.44) MAPTGLAGAAHCAR3ALDH1A1

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