SCHEMBL7973475

SCHEMBL7973475

CN(C)c1cc(F)c([N+](=O)[O-])cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ESPL1 Q14674 1/20 0.45
ALDH1A1 P00352 7/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
HCAR3 P49019 1/20 0.44
VCAM1 P19320 1/20 0.42
MAPT P10636 6/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
CCR6 P51684 1/20 0.37
MAPK1 P28482 1/20 0.36
GLA P06280 1/20 0.36
PGR P06401 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL6084022 0.84 VCAM1 (0.44) ATMTDP1ALDH1A1KDM4EHTT
SCHEMBL12919852 0.81 PDK1 (0.39) ATMTDP1ESPL1ALDH1A1HIF1A
SCHEMBL7976359 0.81 TDP1 (0.42) TDP1ALDH1A1KDM4EHTTHCAR3
SCHEMBL4670199 0.81 TDP1 (0.62) ATMTDP1ESPL1ALDH1A1HIF1A
SCHEMBL29559612 0.80 MAPT (0.45) ATMTDP1ESPL1ALDH1A1HIF1A
SCHEMBL9427812 0.80 ALDH3A1 (0.49) ATMTDP1ESPL1ALDH1A1HIF1A
SCHEMBL31423821 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EHTTHCAR3MAPT
SCHEMBL58080 0.77 TDP1 (0.58) ATMTDP1ESPL1ALDH1A1HIF1A
SCHEMBL29403879 0.77 TDP1 (0.58) ATMTDP1ESPL1ALDH1A1HIF1A
SCHEMBL27076095 0.77 ALDH1A1 (0.44) ATMTDP1ALDH1A1HIF1AKDM4E

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
US-6229055-B1 SYNTHESIS OF FLUORINATED RESORCINOL WHICH IS USEFUL IN THE PREPARATION OF FLUORINATED FLUORESCEIN AND RHODOL DYES SUITABLE FOR USE AS TRACERS, LABELS, OR INTERMEDIATES MOLECULAR PROBES, INC. 2001-05-08 US disclosed
US-6162931-A Fluorinated xanthene derivatives MOLECULAR PROBES, INC. (US) 2000-12-19 US disclosed