SCHEMBL9847872

SCHEMBL9847872

CC(=O)N(c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 4/20 0.37
SLC6A4 P31645 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HCAR3 P49019 1/20 0.33
VCAM1 P19320 1/20 0.33
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2216477 0.84 MAPT (0.34) GPR174SLC6A4NOS3NOS1NOS2
SCHEMBL2216243 0.81 SLC6A4 (0.44) SLC6A4NOS3NOS1NOS2LMNA
SCHEMBL9847843 0.79 LMNA (0.38) SLC6A4LMNAALDH1A1MAPTMAPK1
SCHEMBL10530512 0.79 GPR174 (0.38) GPR174NOS3NOS1NOS2LMNA
SCHEMBL9301104 0.76 ALDH1A1 (0.43) SLC6A4ALDH1A1MAPTMAPK1KDM4E
SCHEMBL9847870 0.70 ALDH1A1 (0.43) SLC6A4ALDH1A1MAPTMAPK1KDM4E
SCHEMBL31208163 0.69 ALDH1A1 (0.68) SLC6A4ALDH1A1MAPTKDM4EPOLB
SCHEMBL12933618 0.69 SLC6A4 (0.39) SLC6A4LMNAALDH1A1MAPTMAPK1
SCHEMBL29686582 0.69 SLC6A4 (0.43) SLC6A4ALDH1A1KDM4EVCAM1HTT
SCHEMBL26118511 0.69 SLC6A4 (0.43) SLC6A4ALDH1A1KDM4EVCAM1HTT

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