SCHEMBL3948485

SCHEMBL3948485

Cn1c(-c2cccnc2F)ccc1-c1ccc(O)c(O)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
KDM4E B2RXH2 7/20 0.38
TDP1 Q9NUW8 5/20 0.38
ALDH1A1 P00352 4/20 0.38
CASP6 P55212 4/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HSP90AA1 P07900 2/20 0.38
OPRK1 P41145 2/20 0.38
CTSB P07858 2/20 0.38
BRD4 O60885 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ALOX12 P18054 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL3582939 0.79 MAPT (0.46) MAPTKDM4ETDP1ALDH1A1CASP6
SCHEMBL3583091 0.67 MAPT (0.45) MAPTKDM4ETDP1ALDH1A1CASP6
SCHEMBL3948484 0.66
SCHEMBL3580119 0.65 KDM4E (0.41) MAPTKDM4ETDP1ALDH1A1CASP6
SCHEMBL29652066 0.61 GPR35 (0.54) ALDH1A1SMN1; SMN2CTSBL3MBTL1THRB
SCHEMBL7435964 0.61 S100A4 (0.40) MAPTKDM4EALDH1A1CASP6SMN1; SMN2
SCHEMBL27190038 0.61 MAPT (0.59) MAPTKDM4ETDP1ALDH1A1CASP6
SCHEMBL30541541 0.61 FEN1 (0.50) MAPTKDM4ETDP1ALDH1A1CASP6
SCHEMBL11371962 0.61 FEN1 (0.50) MAPTKDM4ETDP1ALDH1A1CASP6
SCHEMBL11365341 0.60 FEN1 (0.49) MAPTKDM4ETDP1ALDH1A1CASP6

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-2027091-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - Portela & Ca., S.A. (PT) 2009-02-25 EP disclosed
WO-2007117165-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2007-10-18 WO disclosed