SCHEMBL9847853

SCHEMBL9847853

O=[N+]([O-])c1cc(F)c(N2CCNCC2)cc1NC1CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.63
CYP1A2 P05177 3/20 0.63
CYP2C9 P11712 3/20 0.63
CYP2C19 P33261 3/20 0.63
HTT P42858 2/20 0.63
GAA P10253 3/20 0.62
LMNA P02545 2/20 0.62
ALDH1A1 P00352 7/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MAPK1 P28482 3/20 0.48
PKM P14618 1/20 0.46
GPR174 Q9BXC1 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GLA P06280 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 1/20 0.43
POLB P06746 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
SCHEMBL9301752 0.85 MAPT (0.62) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL9302948 0.83 GPR174 (0.54) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL9302938 0.83 GPR174 (0.54) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL9302533 0.82 GPR174 (0.67) MAPTCYP1A2CYP2C9CYP2C19GAA
SCHEMBL521692 0.80 MAPT (0.76) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL29525723 0.78 MAPT (0.56) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL17896593 0.78 MAPT (0.56) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL9303323 0.78 MAPT (0.54) MAPTCYP1A2CYP2C9CYP2C19GAA
SCHEMBL8657225 0.78 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL7546017 0.77 MAPT (0.71) MAPTCYP1A2CYP2C9CYP2C19GAA

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 disclosed